4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one

C155H235FN14O16 — CID 158421625

IUPAC4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one
SMILESCC(C)(C)c1ccc(N2CCOCC2)cc1F.CC(C)(C)c1ccn(C2CC2)c(=O)c1.COC1CCCCC1n1cc(C(C)(C)C)cn1.COCCn1ccc(C(C)(C)C)cc1=O.COc1cc(C(=O)N2CCOCC2)ccc1C(C)(C)C.COc1cc(N2CCOC2=O)ccc1C(C)(C)C.Cc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.Cc1cc(N2CCOCC2)ccc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cn1c(C(C)(C)C)cc(=O)n(C)c1=O.Cn1ccc(C(C)(C)C)cc1=O.Cn1cccc(C(C)(C)C)c1=O
InChIInChI=1S/C16H26N2.C16H23NO3.C15H23NO.C14H20FNO.C14H24N2O.C14H19NO3.C12H19NO2.C12H17NO.C12H18.C10H16N2O2.2C10H15NO/c1-13-12-14(6-7-15(13)16(2,3)4)18-10-8-17(5)9-11-18;1-16(2,3)13-6-5-12(11-14(13)19-4)15(18)17-7-9-20-10-8-17;1-12-11-13(16-7-9-17-10-8-16)5-6-14(12)15(2,3)4;1-14(2,3)12-5-4-11(10-13(12)15)16-6-8-17-9-7-16;1-14(2,3)11-9-15-16(10-11)12-7-5-6-8-13(12)17-4;1-14(2,3)11-6-5-10(9-12(11)17-4)15-7-8-18-13(15)16;1-12(2,3)10-5-6-13(7-8-15-4)11(14)9-10;1-12(2,3)9-6-7-13(10-4-5-10)11(14)8-9;1-9-7-6-8-11(10(9)2)12(3,4)5;1-10(2,3)7-6-8(13)12(5)9(14)11(7)4;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-6-5-7-11(4)9(8)12/h6-7,12H,8-11H2,1-5H3;5-6,11H,7-10H2,1-4H3;5-6,11H,7-10H2,1-4H3;4-5,10H,6-9H2,1-3H3;9-10,12-13H,5-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;6-8,10H,4-5H2,1-3H3;6-8H,1-5H3;6H,1-5H3;2*5-7H,1-4H3
InChIKeyHAODKBKVZNDJTH-UHFFFAOYSA-N
MW2569.66 g/mol
LogP29.48
Rot. Bonds13

About 4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one

4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one (PubChem CID 158421625) has the molecular formula C155H235FN14O16 and a molecular weight of 2569.66 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one
PubChem CID158421625
Molecular FormulaC155H235FN14O16
Molecular Weight2569.66 g/mol
Exact Mass2567.80
IUPAC Name4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one
SMILESCC(C)(C)c1ccc(N2CCOCC2)cc1F.CC(C)(C)c1ccn(C2CC2)c(=O)c1.COC1CCCCC1n1cc(C(C)(C)C)cn1.COCCn1ccc(C(C)(C)C)cc1=O.COc1cc(C(=O)N2CCOCC2)ccc1C(C)(C)C.COc1cc(N2CCOC2=O)ccc1C(C)(C)C.Cc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.Cc1cc(N2CCOCC2)ccc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cn1c(C(C)(C)C)cc(=O)n(C)c1=O.Cn1ccc(C(C)(C)C)cc1=O.Cn1cccc(C(C)(C)C)c1=O
InChIInChI=1S/C16H26N2.C16H23NO3.C15H23NO.C14H20FNO.C14H24N2O.C14H19NO3.C12H19NO2.C12H17NO.C12H18.C10H16N2O2.2C10H15NO/c1-13-12-14(6-7-15(13)16(2,3)4)18-10-8-17(5)9-11-18;1-16(2,3)13-6-5-12(11-14(13)19-4)15(18)17-7-9-20-10-8-17;1-12-11-13(16-7-9-17-10-8-16)5-6-14(12)15(2,3)4;1-14(2,3)12-5-4-11(10-13(12)15)16-6-8-17-9-7-16;1-14(2,3)11-9-15-16(10-11)12-7-5-6-8-13(12)17-4;1-14(2,3)11-6-5-10(9-12(11)17-4)15-7-8-18-13(15)16;1-12(2,3)10-5-6-13(7-8-15-4)11(14)9-10;1-12(2,3)9-6-7-13(10-4-5-10)11(14)8-9;1-9-7-6-8-11(10(9)2)12(3,4)5;1-10(2,3)7-6-8(13)12(5)9(14)11(7)4;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-6-5-7-11(4)9(8)12/h6-7,12H,8-11H2,1-5H3;5-6,11H,7-10H2,1-4H3;5-6,11H,7-10H2,1-4H3;4-5,10H,6-9H2,1-3H3;9-10,12-13H,5-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;6-8,10H,4-5H2,1-3H3;6-8H,1-5H3;6H,1-5H3;2*5-7H,1-4H3
InChIKeyHAODKBKVZNDJTH-UHFFFAOYSA-N
XLogP29.48
TPSA277.24 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002569.66
LogP ≤ 529.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-tert-butyl-2-fluoro-5-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide;4-tert-butyl-2-fluoro-5-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-1-methylpyrazole;molecular hydrogen
CID 165028925

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one?
The IUPAC name of 4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one (CID 158421625) is 4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one.
What is the SMILES notation for 4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one?
The canonical SMILES for 4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one is CC(C)(C)c1ccc(N2CCOCC2)cc1F.CC(C)(C)c1ccn(C2CC2)c(=O)c1.COC1CCCCC1n1cc(C(C)(C)C)cn1.COCCn1ccc(C(C)(C)C)cc1=O.COc1cc(C(=O)N2CCOCC2)ccc1C(C)(C)C.COc1cc(N2CCOC2=O)ccc1C(C)(C)C.Cc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.Cc1cc(N2CCOCC2)ccc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cn1c(C(C)(C)C)cc(=O)n(C)c1=O.Cn1ccc(C(C)(C)C)cc1=O.Cn1cccc(C(C)(C)C)c1=O.
What is the InChIKey of 4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one?
The InChIKey is HAODKBKVZNDJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C16H23NO3.C15H23NO.C14H20FNO.C14H24N2O.C14H19NO3.C12H19NO2.C12H17NO.C12H18.C10H16N2O2.2C10H15NO/c1-13-12-14(6-7-15(13)16(2,3)4)18-10-8-17(5)9-11-18;1-16(2,3)13-6-5-12(11-14(13)19-4)15(18)17-7-9-20-10-8-17;1-12-11-13(16-7-9-17-10-8-16)5-6-14(12)15(2,3)4;1-14(2,3)12-5-4-11(10-13(12)15)16-6-8-17-9-7-16;1-14(2,3)11-9-15-16(10-11)12-7-5-6-8-13(12)17-4;1-14(2,3)11-6-5-10(9-12(11)17-4)15-7-8-18-13(15)16;1-12(2,3)10-5-6-13(7-8-15-4)11(14)9-10;1-12(2,3)9-6-7-13(10-4-5-10)11(14)8-9;1-9-7-6-8-11(10(9)2)12(3,4)5;1-10(2,3)7-6-8(13)12(5)9(14)11(7)4;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-6-5-7-11(4)9(8)12/h6-7,12H,8-11H2,1-5H3;5-6,11H,7-10H2,1-4H3;5-6,11H,7-10H2,1-4H3;4-5,10H,6-9H2,1-3H3;9-10,12-13H,5-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;5-6,9H,7-8H2,1-4H3;6-8,10H,4-5H2,1-3H3;6-8H,1-5H3;6H,1-5H3;2*5-7H,1-4H3.
What are the key properties of 4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one?
4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one has a molecular weight of 2569.66 g/mol, XLogP of 29.48, 13 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one is sourced from PubChem (CID 158421625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).