1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile

C155H232F2N36O4S — CID 164988922

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile
SMILESCC(C)C1CCN(Cc2cccnn2)CC1C#N.CC(C)C1CCN(Cc2ccn(C)n2)CC1C#N.CC(C)C1CCN(Cc2ccon2)CC1C#N.CC(C)C1CCN(Cc2cnccn2)CC1C#N.CC(C)C1CCN(Cc2cocn2)CC1C#N.CC(C)C1CN(CC2CCOC2)CCC1C#N.CC(C)C1CN(Cc2ccc(F)cn2)CCC1C#N.CC(C)C1CN(Cc2cccnc2F)CCC1C#N.CC1=NOC(CN2CCC(C#N)C(C(C)C)C2)C1.CCn1ccnc1CN1CCC(C#N)C(C(C)C)C1.Cc1ncc(CN2CCC(C#N)C(C(C)C)C2)s1
InChIInChI=1S/2C15H20FN3.C15H24N4.C14H22N4.2C14H20N4.C14H23N3O.C14H21N3S.C14H24N2O.2C13H19N3O/c1-11(2)15-10-19(6-5-12(15)7-17)9-14-4-3-13(16)8-18-14;1-11(2)14-10-19(7-5-12(14)8-17)9-13-4-3-6-18-15(13)16;1-4-19-8-6-17-15(19)11-18-7-5-13(9-16)14(10-18)12(2)3;1-11(2)14-5-7-18(9-12(14)8-15)10-13-4-6-17(3)16-13;1-11(2)14-3-6-18(9-12(14)7-15)10-13-8-16-4-5-17-13;1-11(2)14-5-7-18(9-12(14)8-15)10-13-4-3-6-16-17-13;1-10(2)14-9-17(5-4-12(14)7-15)8-13-6-11(3)16-18-13;1-10(2)14-9-17(5-4-12(14)6-15)8-13-7-16-11(3)18-13;1-11(2)14-9-16(5-3-13(14)7-15)8-12-4-6-17-10-12;1-10(2)13-3-5-16(8-11(13)7-14)9-12-4-6-17-15-12;1-10(2)13-3-4-16(6-11(13)5-14)7-12-8-17-9-15-12/h3-4,8,11-12,15H,5-6,9-10H2,1-2H3;3-4,6,11-12,14H,5,7,9-10H2,1-2H3;6,8,12-14H,4-5,7,10-11H2,1-3H3;4,6,11-12,14H,5,7,9-10H2,1-3H3;4-5,8,11-12,14H,3,6,9-10H2,1-2H3;3-4,6,11-12,14H,5,7,9-10H2,1-2H3;10,12-14H,4-6,8-9H2,1-3H3;7,10,12,14H,4-5,8-9H2,1-3H3;11-14H,3-6,8-10H2,1-2H3;4,6,10-11,13H,3,5,8-9H2,1-2H3;8-11,13H,3-4,6-7H2,1-2H3
InChIKeyGOJXWPCVZWGFHE-UHFFFAOYSA-N
MW2733.87 g/mol
LogP26.49
Rot. Bonds34

About 1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile

1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile (PubChem CID 164988922) has the molecular formula C155H232F2N36O4S and a molecular weight of 2733.87 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile
PubChem CID164988922
Molecular FormulaC155H232F2N36O4S
Molecular Weight2733.87 g/mol
Exact Mass2731.87
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile
SMILESCC(C)C1CCN(Cc2cccnn2)CC1C#N.CC(C)C1CCN(Cc2ccn(C)n2)CC1C#N.CC(C)C1CCN(Cc2ccon2)CC1C#N.CC(C)C1CCN(Cc2cnccn2)CC1C#N.CC(C)C1CCN(Cc2cocn2)CC1C#N.CC(C)C1CN(CC2CCOC2)CCC1C#N.CC(C)C1CN(Cc2ccc(F)cn2)CCC1C#N.CC(C)C1CN(Cc2cccnc2F)CCC1C#N.CC1=NOC(CN2CCC(C#N)C(C(C)C)C2)C1.CCn1ccnc1CN1CCC(C#N)C(C(C)C)C1.Cc1ncc(CN2CCC(C#N)C(C(C)C)C2)s1
InChIInChI=1S/2C15H20FN3.C15H24N4.C14H22N4.2C14H20N4.C14H23N3O.C14H21N3S.C14H24N2O.2C13H19N3O/c1-11(2)15-10-19(6-5-12(15)7-17)9-14-4-3-13(16)8-18-14;1-11(2)14-10-19(7-5-12(14)8-17)9-13-4-3-6-18-15(13)16;1-4-19-8-6-17-15(19)11-18-7-5-13(9-16)14(10-18)12(2)3;1-11(2)14-5-7-18(9-12(14)8-15)10-13-4-6-17(3)16-13;1-11(2)14-3-6-18(9-12(14)7-15)10-13-8-16-4-5-17-13;1-11(2)14-5-7-18(9-12(14)8-15)10-13-4-3-6-16-17-13;1-10(2)14-9-17(5-4-12(14)7-15)8-13-6-11(3)16-18-13;1-10(2)14-9-17(5-4-12(14)6-15)8-13-7-16-11(3)18-13;1-11(2)14-9-16(5-3-13(14)7-15)8-12-4-6-17-10-12;1-10(2)13-3-5-16(8-11(13)7-14)9-12-4-6-17-15-12;1-10(2)13-3-4-16(6-11(13)5-14)7-12-8-17-9-15-12/h3-4,8,11-12,15H,5-6,9-10H2,1-2H3;3-4,6,11-12,14H,5,7,9-10H2,1-2H3;6,8,12-14H,4-5,7,10-11H2,1-3H3;4,6,11-12,14H,5,7,9-10H2,1-3H3;4-5,8,11-12,14H,3,6,9-10H2,1-2H3;3-4,6,11-12,14H,5,7,9-10H2,1-2H3;10,12-14H,4-6,8-9H2,1-3H3;7,10,12,14H,4-5,8-9H2,1-3H3;11-14H,3-6,8-10H2,1-2H3;4,6,10-11,13H,3,5,8-9H2,1-2H3;8-11,13H,3-4,6-7H2,1-2H3
InChIKeyGOJXWPCVZWGFHE-UHFFFAOYSA-N
XLogP26.49
TPSA506.08 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002733.87
LogP ≤ 526.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

CID 157298273
CID 157298273
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1-ethyl-4-propan-2-yltriazole;2-fluoro-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-yltriazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158159608
1-Benzyl-4-propan-2-ylpyrazole;4-tert-butyl-1-ethyltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole);4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole
CID 160818881
CID 161201231
CID 161201231
CID 161272938
CID 161272938
1-Benzyl-4-propan-2-ylpyrazole;4-tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole);4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole
CID 161548830
2,5-dimethylfuran;1,4-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,5-dimethyl-1H-pyrazole;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3-fluoro-2,5-dimethylpyridine;methane;3,4,5-trimethyl-1,2-oxazole;2,3,5-trimethylpyridine;2,4,5-trimethyl-1,3-thiazole
CID 157150556
2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyrimidine;3-methylimidazo[1,2-a]pyrimidine;3-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-3H-pyrazole;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene
CID 157155215
cumene;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157180754
CID 157190076
CID 157190076
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-pyrazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-[(E)-3-methylbut-1-enyl]furan;2-[(E)-3-methylbut-1-enyl]pyridine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-4H-triazol-3-ium;2-propan-2-ylpyrazine;2-propan-2-ylpyridine
CID 157262008
3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
CID 157309618

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile (CID 164988922) is 1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile is CC(C)C1CCN(Cc2cccnn2)CC1C#N.CC(C)C1CCN(Cc2ccn(C)n2)CC1C#N.CC(C)C1CCN(Cc2ccon2)CC1C#N.CC(C)C1CCN(Cc2cnccn2)CC1C#N.CC(C)C1CCN(Cc2cocn2)CC1C#N.CC(C)C1CN(CC2CCOC2)CCC1C#N.CC(C)C1CN(Cc2ccc(F)cn2)CCC1C#N.CC(C)C1CN(Cc2cccnc2F)CCC1C#N.CC1=NOC(CN2CCC(C#N)C(C(C)C)C2)C1.CCn1ccnc1CN1CCC(C#N)C(C(C)C)C1.Cc1ncc(CN2CCC(C#N)C(C(C)C)C2)s1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile?
The InChIKey is GOJXWPCVZWGFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H20FN3.C15H24N4.C14H22N4.2C14H20N4.C14H23N3O.C14H21N3S.C14H24N2O.2C13H19N3O/c1-11(2)15-10-19(6-5-12(15)7-17)9-14-4-3-13(16)8-18-14;1-11(2)14-10-19(7-5-12(14)8-17)9-13-4-3-6-18-15(13)16;1-4-19-8-6-17-15(19)11-18-7-5-13(9-16)14(10-18)12(2)3;1-11(2)14-5-7-18(9-12(14)8-15)10-13-4-6-17(3)16-13;1-11(2)14-3-6-18(9-12(14)7-15)10-13-8-16-4-5-17-13;1-11(2)14-5-7-18(9-12(14)8-15)10-13-4-3-6-16-17-13;1-10(2)14-9-17(5-4-12(14)7-15)8-13-6-11(3)16-18-13;1-10(2)14-9-17(5-4-12(14)6-15)8-13-7-16-11(3)18-13;1-11(2)14-9-16(5-3-13(14)7-15)8-12-4-6-17-10-12;1-10(2)13-3-5-16(8-11(13)7-14)9-12-4-6-17-15-12;1-10(2)13-3-4-16(6-11(13)5-14)7-12-8-17-9-15-12/h3-4,8,11-12,15H,5-6,9-10H2,1-2H3;3-4,6,11-12,14H,5,7,9-10H2,1-2H3;6,8,12-14H,4-5,7,10-11H2,1-3H3;4,6,11-12,14H,5,7,9-10H2,1-3H3;4-5,8,11-12,14H,3,6,9-10H2,1-2H3;3-4,6,11-12,14H,5,7,9-10H2,1-2H3;10,12-14H,4-6,8-9H2,1-3H3;7,10,12,14H,4-5,8-9H2,1-3H3;11-14H,3-6,8-10H2,1-2H3;4,6,10-11,13H,3,5,8-9H2,1-2H3;8-11,13H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile?
1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile has a molecular weight of 2733.87 g/mol, XLogP of 26.49, 34 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(2-fluoro-3-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(5-fluoro-2-pyridinyl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperidine-3-carbonitrile;1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylpiperidine-4-carbonitrile;1-(1,2-oxazol-3-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(1,3-oxazol-4-ylmethyl)-4-propan-2-ylpiperidine-3-carbonitrile;1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperidine-4-carbonitrile;4-propan-2-yl-1-(pyrazin-2-ylmethyl)piperidine-3-carbonitrile;4-propan-2-yl-1-(pyridazin-3-ylmethyl)piperidine-3-carbonitrile is sourced from PubChem (CID 164988922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).