1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one

C167H202N28O22 — CID 167600021

IUPAC1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one
SMILESC=C1CCC(n2c(=O)n(C(C)C)c3ccccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3c(C(C)C)cccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3cc(C(C)C)ccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3ccc(C(C)C)cc32)C(=O)N1.C=C1CCC(n2c(=O)oc3c(C(C)C)cccc32)C(=O)N1.C=C1CCC(n2c(=O)oc3cc(C(C)C)ccc32)C(=O)N1.C=C1CC[C@@H](n2c(=O)n(C)c3c(C(C)C)cccc32)C(=O)N1.C=C1CC[C@@H](n2c(=O)n(C)c3cc(C(C)C)ccc32)C(=O)N1.C=C1CC[C@H](n2c(=O)n(C)c3c(C(C)C)cccc32)C(=O)N1.C=C1CC[C@H](n2c(=O)n(C)c3cc(C(C)C)ccc32)C(=O)N1
InChIInChI=1S/7C17H21N3O2.C16H19N3O2.2C16H18N2O3/c3*1-10(2)12-6-8-13-15(9-12)19(4)17(22)20(13)14-7-5-11(3)18-16(14)21;1-10(2)12-6-8-13-15(9-12)20(17(22)19(13)4)14-7-5-11(3)18-16(14)21;3*1-10(2)12-6-5-7-13-15(12)19(4)17(22)20(13)14-9-8-11(3)18-16(14)21;1-10(2)18-12-6-4-5-7-13(12)19(16(18)21)14-9-8-11(3)17-15(14)20;1-9(2)11-5-7-12-14(8-11)21-16(20)18(12)13-6-4-10(3)17-15(13)19;1-9(2)11-5-4-6-12-14(11)21-16(20)18(12)13-8-7-10(3)17-15(13)19/h4*6,8-10,14H,3,5,7H2,1-2,4H3,(H,18,21);3*5-7,10,14H,3,8-9H2,1-2,4H3,(H,18,21);4-7,10,14H,3,8-9H2,1-2H3,(H,17,20);5,7-9,13H,3-4,6H2,1-2H3,(H,17,19);4-6,9,13H,3,7-8H2,1-2H3,(H,17,19)/t2*14-;;;2*14-;;;;/m10..10..../s1
InChIKeyJPCNDJJPARDTMO-UUSHPAJXSA-N
MW2953.63 g/mol
LogP24.71
Rot. Bonds20

About 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one

1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one (PubChem CID 167600021) has the molecular formula C167H202N28O22 and a molecular weight of 2953.63 g/mol. Its IUPAC name is 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one
PubChem CID167600021
Molecular FormulaC167H202N28O22
Molecular Weight2953.63 g/mol
Exact Mass2951.55
IUPAC Name1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one
SMILESC=C1CCC(n2c(=O)n(C(C)C)c3ccccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3c(C(C)C)cccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3cc(C(C)C)ccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3ccc(C(C)C)cc32)C(=O)N1.C=C1CCC(n2c(=O)oc3c(C(C)C)cccc32)C(=O)N1.C=C1CCC(n2c(=O)oc3cc(C(C)C)ccc32)C(=O)N1.C=C1CC[C@@H](n2c(=O)n(C)c3c(C(C)C)cccc32)C(=O)N1.C=C1CC[C@@H](n2c(=O)n(C)c3cc(C(C)C)ccc32)C(=O)N1.C=C1CC[C@H](n2c(=O)n(C)c3c(C(C)C)cccc32)C(=O)N1.C=C1CC[C@H](n2c(=O)n(C)c3cc(C(C)C)ccc32)C(=O)N1
InChIInChI=1S/7C17H21N3O2.C16H19N3O2.2C16H18N2O3/c3*1-10(2)12-6-8-13-15(9-12)19(4)17(22)20(13)14-7-5-11(3)18-16(14)21;1-10(2)12-6-8-13-15(9-12)20(17(22)19(13)4)14-7-5-11(3)18-16(14)21;3*1-10(2)12-6-5-7-13-15(12)19(4)17(22)20(13)14-9-8-11(3)18-16(14)21;1-10(2)18-12-6-4-5-7-13(12)19(16(18)21)14-9-8-11(3)17-15(14)20;1-9(2)11-5-7-12-14(8-11)21-16(20)18(12)13-6-4-10(3)17-15(13)19;1-9(2)11-5-4-6-12-14(11)21-16(20)18(12)13-8-7-10(3)17-15(13)19/h4*6,8-10,14H,3,5,7H2,1-2,4H3,(H,18,21);3*5-7,10,14H,3,8-9H2,1-2,4H3,(H,18,21);4-7,10,14H,3,8-9H2,1-2H3,(H,17,20);5,7-9,13H,3-4,6H2,1-2H3,(H,17,19);4-6,9,13H,3,7-8H2,1-2H3,(H,17,19)/t2*14-;;;2*14-;;;;/m10..10..../s1
InChIKeyJPCNDJJPARDTMO-UUSHPAJXSA-N
XLogP24.71
TPSA576.72 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds20
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002953.63
LogP ≤ 524.71
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one
CID 157061711
2-[4-[(2S,4S)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4S)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[(2S,4S)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid
CID 157384169
[3-(4-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[3-(4-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate
CID 159190966
2-[4-[(2S,4R)-1-[2-[4-[(2-aminophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]-4-hydroxypyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-hydroxy-1-[2-[4-[(2-hydroxyphenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[4-[(2S,4R)-4-methoxy-1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]piperazin-1-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[1-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-2,3-dihydroindole-2-carbonyl]piperidin-4-yl]acetic acid;2-[4-[2-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]acetic acid
CID 159239725
[1-(4-cyclohexylpiperazin-1-yl)-3-(4-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-1-oxopropan-2-yl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;[1-(4-cyclohexylpiperazin-1-yl)-3-(4-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-1-oxopropan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate
CID 161524424
3-[4-(Tert-butylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 161943474
3-[4-(Tert-butylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 162207788
CID 163824717
CID 163824717
3-(4-Tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[5-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;bis(3-[5-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione);3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 164160688
ethane;6-methylidene-3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)piperidin-2-one;6-methylidene-3-(2-oxo-3-phenylimidazolidin-1-yl)piperidin-2-one;bis(6-methylidene-3-(2-oxo-4-phenyl-3-propan-2-ylimidazolidin-1-yl)piperidin-2-one);3-(6-methylidene-2-oxopiperidin-3-yl)-1,3-benzoxazol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-3H-indol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-5-phenyl-1,3-oxazolidin-2-one;6-methylidene-3-(2-oxo-3-propan-2-ylimidazol-1-yl)piperidin-2-one;pentakis(2-methylpropane)
CID 164954923
ethane;6-methylidene-3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)piperidin-2-one;bis(6-methylidene-3-(2-oxo-4-phenyl-3-propan-2-ylimidazolidin-1-yl)piperidin-2-one);3-(6-methylidene-2-oxopiperidin-3-yl)-1,3-benzoxazol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-3H-indol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-5-phenyl-1,3-oxazolidin-2-one;6-methylidene-3-(2-oxo-3-propan-2-ylimidazol-1-yl)piperidin-2-one;tetrakis(2-methylpropane)
CID 165067283
6-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-cyclohexyl-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(2,2-dimethylpiperidin-4-yl)-1,3-benzoxazol-2-one;6-(2,2-dimethylpiperidin-4-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(2R)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(2S)-2-methylpiperidin-4-yl]-1,3-benzoxazol-2-one;3-methyl-6-(2-methylpiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5-azaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperidin-4-yl)-1,3-benzoxazol-2-one;3-methyl-4-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-5-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-4-yl-1,3-benzoxazol-2-one;3-methyl-7-piperidin-4-yl-1,3-benzoxazol-2-one;3-(1-methylpiperidin-4-yl)-6-piperidin-4-yl-1,3-benzoxazol-2-one
CID 167535939

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one?
The IUPAC name of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one (CID 167600021) is 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one is C=C1CCC(n2c(=O)n(C(C)C)c3ccccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3c(C(C)C)cccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3cc(C(C)C)ccc32)C(=O)N1.C=C1CCC(n2c(=O)n(C)c3ccc(C(C)C)cc32)C(=O)N1.C=C1CCC(n2c(=O)oc3c(C(C)C)cccc32)C(=O)N1.C=C1CCC(n2c(=O)oc3cc(C(C)C)ccc32)C(=O)N1.C=C1CC[C@@H](n2c(=O)n(C)c3c(C(C)C)cccc32)C(=O)N1.C=C1CC[C@@H](n2c(=O)n(C)c3cc(C(C)C)ccc32)C(=O)N1.C=C1CC[C@H](n2c(=O)n(C)c3c(C(C)C)cccc32)C(=O)N1.C=C1CC[C@H](n2c(=O)n(C)c3cc(C(C)C)ccc32)C(=O)N1.
What is the InChIKey of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one?
The InChIKey is JPCNDJJPARDTMO-UUSHPAJXSA-N. The full InChI is InChI=1S/7C17H21N3O2.C16H19N3O2.2C16H18N2O3/c3*1-10(2)12-6-8-13-15(9-12)19(4)17(22)20(13)14-7-5-11(3)18-16(14)21;1-10(2)12-6-8-13-15(9-12)20(17(22)19(13)4)14-7-5-11(3)18-16(14)21;3*1-10(2)12-6-5-7-13-15(12)19(4)17(22)20(13)14-9-8-11(3)18-16(14)21;1-10(2)18-12-6-4-5-7-13(12)19(16(18)21)14-9-8-11(3)17-15(14)20;1-9(2)11-5-7-12-14(8-11)21-16(20)18(12)13-6-4-10(3)17-15(13)19;1-9(2)11-5-4-6-12-14(11)21-16(20)18(12)13-8-7-10(3)17-15(13)19/h4*6,8-10,14H,3,5,7H2,1-2,4H3,(H,18,21);3*5-7,10,14H,3,8-9H2,1-2,4H3,(H,18,21);4-7,10,14H,3,8-9H2,1-2H3,(H,17,20);5,7-9,13H,3-4,6H2,1-2H3,(H,17,19);4-6,9,13H,3,7-8H2,1-2H3,(H,17,19)/t2*14-;;;2*14-;;;;/m10..10..../s1.
What are the key properties of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one?
1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one has a molecular weight of 2953.63 g/mol, XLogP of 24.71, 20 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;1-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-5-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one is sourced from PubChem (CID 167600021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).