4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile

C128H114F7N19O6 — CID 167543773

IUPAC4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile
SMILESN#CC1(Cc2cc(F)cc(F)c2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1.N#CC1(Cc2ccc(C3CC3)cc2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1.N#CC1(Cc2ccc(F)cc2)CCN(C(=O)c2cc(F)ccc2-c2ccncc2)CC1.N#CC1(Cc2ccc(OC(F)(F)F)cc2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1.N#CC1(Cc2cccc(C3CC3)c2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1
InChIInChI=1S/2C27H26N4O.C25H21F3N4O2.C25H21F2N3O.C24H20F2N4O/c28-18-27(17-20-4-3-5-22(16-20)21-8-9-21)11-14-31(15-12-27)26(32)24-7-2-1-6-23(24)25-10-13-29-19-30-25;28-18-27(17-20-5-7-21(8-6-20)22-9-10-22)12-15-31(16-13-27)26(32)24-4-2-1-3-23(24)25-11-14-29-19-30-25;26-25(27,28)34-19-7-5-18(6-8-19)15-24(16-29)10-13-32(14-11-24)23(33)21-4-2-1-3-20(21)22-9-12-30-17-31-22;26-20-3-1-18(2-4-20)16-25(17-28)9-13-30(14-10-25)24(31)23-15-21(27)5-6-22(23)19-7-11-29-12-8-19;25-18-11-17(12-19(26)13-18)14-24(15-27)6-9-30(10-7-24)23(31)21-4-2-1-3-20(21)22-5-8-28-16-29-22/h1-7,10,13,16,19,21H,8-9,11-12,14-15,17H2;1-8,11,14,19,22H,9-10,12-13,15-17H2;1-9,12,17H,10-11,13-15H2;1-8,11-12,15H,9-10,13-14,16H2;1-5,8,11-13,16H,6-7,9-10,14H2
InChIKeyBNMFKYQWYOLSEW-UHFFFAOYSA-N
MW2147.43 g/mol
LogP24.48
Rot. Bonds23

About 4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile

4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile (PubChem CID 167543773) has the molecular formula C128H114F7N19O6 and a molecular weight of 2147.43 g/mol. Its IUPAC name is 4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile
PubChem CID167543773
Molecular FormulaC128H114F7N19O6
Molecular Weight2147.43 g/mol
Exact Mass2145.91
IUPAC Name4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile
SMILESN#CC1(Cc2cc(F)cc(F)c2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1.N#CC1(Cc2ccc(C3CC3)cc2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1.N#CC1(Cc2ccc(F)cc2)CCN(C(=O)c2cc(F)ccc2-c2ccncc2)CC1.N#CC1(Cc2ccc(OC(F)(F)F)cc2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1.N#CC1(Cc2cccc(C3CC3)c2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1
InChIInChI=1S/2C27H26N4O.C25H21F3N4O2.C25H21F2N3O.C24H20F2N4O/c28-18-27(17-20-4-3-5-22(16-20)21-8-9-21)11-14-31(15-12-27)26(32)24-7-2-1-6-23(24)25-10-13-29-19-30-25;28-18-27(17-20-5-7-21(8-6-20)22-9-10-22)12-15-31(16-13-27)26(32)24-4-2-1-3-23(24)25-11-14-29-19-30-25;26-25(27,28)34-19-7-5-18(6-8-19)15-24(16-29)10-13-32(14-11-24)23(33)21-4-2-1-3-20(21)22-9-12-30-17-31-22;26-20-3-1-18(2-4-20)16-25(17-28)9-13-30(14-10-25)24(31)23-15-21(27)5-6-22(23)19-7-11-29-12-8-19;25-18-11-17(12-19(26)13-18)14-24(15-27)6-9-30(10-7-24)23(31)21-4-2-1-3-20(21)22-5-8-28-16-29-22/h1-7,10,13,16,19,21H,8-9,11-12,14-15,17H2;1-8,11,14,19,22H,9-10,12-13,15-17H2;1-9,12,17H,10-11,13-15H2;1-8,11-12,15H,9-10,13-14,16H2;1-5,8,11-13,16H,6-7,9-10,14H2
InChIKeyBNMFKYQWYOLSEW-UHFFFAOYSA-N
XLogP24.48
TPSA345.74 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002147.43
LogP ≤ 524.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethyl)-4-methyl-1-propan-2-ylbenzene;6-ethoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;N-ethyl-N,5-dimethyl-2-propan-2-ylaniline;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-4-methyl-1-propan-2-ylbenzene;4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine);5-methyl-2-propan-2-ylbenzamide;5-methyl-2-propan-2-ylbenzonitrile;4-methyl-1-propan-2-yl-2-(trifluoromethyl)benzene;bis(6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine);N,N,5-trimethyl-2-propan-2-ylaniline;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine
CID 157116446
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 157241863
N-[1-[4-[6-(6-cyclopropyl-3-pyridinyl)-7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethenyl]-4-(trifluoromethoxy)aniline;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;3-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]piperazin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
CID 157374372
N,N-dimethyl-4-propan-2-ylisoquinolin-1-amine;2,4-dimethyl-1-propan-2-ylnaphthalene;2,6-dimethyl-1-propan-2-ylnaphthalene;6-fluoro-2-methyl-1-propan-2-ylisoquinolin-3-one;5-fluoro-2-methyl-1-propan-2-ylnaphthalene;6-fluoro-1-propan-2-yl-2H-isoquinolin-3-one;1-methoxy-3-methyl-4-propan-2-ylisoquinoline;1-methoxy-4-propan-2-ylisoquinoline;2-methoxy-1-propan-2-ylnaphthalene;3-methyl-4-propan-2-ylisoquinoline;tris(2-methyl-1-propan-2-ylnaphthalene);7-methyl-8-propan-2-ylnaphthalene-2-carbonitrile;7-methyl-8-propan-2-ylnaphthalene-2-carboxamide;1-propan-2-ylnaphthalene-2-carbonitrile;1-propan-2-yl-2-(trifluoromethyl)naphthalene;N,N,3-trimethyl-4-propan-2-ylisoquinolin-1-amine
CID 158109496
2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]benzamide;2-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone
CID 159106898
1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 159556190
CID 160043159
CID 160043159
3-[4-(cyclopropylmethoxy)phenyl]-2-propan-2-ylpyridine;3-[4-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-5-(1-hydroxy-2-propan-2-ylpyridin-1-ium-3-yl)-N-methylbenzamide;2-fluoro-N-methyl-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;3-[4-(2-methoxyethoxy)phenyl]-2-propan-2-ylpyridine;3-[4-(methoxymethyl)phenyl]-2-propan-2-ylpyridine;5-naphthalen-1-yl-4-propan-2-ylpyrimidine;5-naphthalen-2-yl-4-propan-2-ylpyrimidine;bis(3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine)
CID 160069564
3-[4-(cyclopropylmethoxy)phenyl]-2-propan-2-ylpyridine;3-[4-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-5-(1-hydroxy-2-propan-2-ylpyridin-1-ium-3-yl)-N-methylbenzamide;3-[4-(2-methoxyethoxy)phenyl]-2-propan-2-ylpyridine;3-[4-(methoxymethyl)phenyl]-2-propan-2-ylpyridine;5-naphthalen-1-yl-4-propan-2-ylpyrimidine
CID 160389274
3-[4-[3-(1,1-Difluoroethyl)phenyl]pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)pyrimidin-2-yl]benzoic acid;3-[4-(3-fluorophenyl)pyrimidin-2-yl]benzoic acid;3-[4-(4-methoxyphenyl)pyrimidin-2-yl]benzoic acid;3-[4-(3-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 160656148
3-[3-[2-[2-(Dimethylamino)pyrimidin-5-yl]phenyl]piperidine-1-carbonyl]benzamide;4-[3-[2-[2-(dimethylamino)pyrimidin-5-yl]phenyl]piperidine-1-carbonyl]benzamide;[3-[2-[2-(dimethylamino)pyrimidin-5-yl]phenyl]piperidin-1-yl]-(4-methoxyphenyl)methanone;[3-[2-[2-(dimethylamino)pyrimidin-5-yl]phenyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 160719735
N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide
CID 161064682

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile?
The IUPAC name of 4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile (CID 167543773) is 4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile is N#CC1(Cc2cc(F)cc(F)c2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1.N#CC1(Cc2ccc(C3CC3)cc2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1.N#CC1(Cc2ccc(F)cc2)CCN(C(=O)c2cc(F)ccc2-c2ccncc2)CC1.N#CC1(Cc2ccc(OC(F)(F)F)cc2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1.N#CC1(Cc2cccc(C3CC3)c2)CCN(C(=O)c2ccccc2-c2ccncn2)CC1.
What is the InChIKey of 4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile?
The InChIKey is BNMFKYQWYOLSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H26N4O.C25H21F3N4O2.C25H21F2N3O.C24H20F2N4O/c28-18-27(17-20-4-3-5-22(16-20)21-8-9-21)11-14-31(15-12-27)26(32)24-7-2-1-6-23(24)25-10-13-29-19-30-25;28-18-27(17-20-5-7-21(8-6-20)22-9-10-22)12-15-31(16-13-27)26(32)24-4-2-1-3-23(24)25-11-14-29-19-30-25;26-25(27,28)34-19-7-5-18(6-8-19)15-24(16-29)10-13-32(14-11-24)23(33)21-4-2-1-3-20(21)22-9-12-30-17-31-22;26-20-3-1-18(2-4-20)16-25(17-28)9-13-30(14-10-25)24(31)23-15-21(27)5-6-22(23)19-7-11-29-12-8-19;25-18-11-17(12-19(26)13-18)14-24(15-27)6-9-30(10-7-24)23(31)21-4-2-1-3-20(21)22-5-8-28-16-29-22/h1-7,10,13,16,19,21H,8-9,11-12,14-15,17H2;1-8,11,14,19,22H,9-10,12-13,15-17H2;1-9,12,17H,10-11,13-15H2;1-8,11-12,15H,9-10,13-14,16H2;1-5,8,11-13,16H,6-7,9-10,14H2.
What are the key properties of 4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile?
4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile has a molecular weight of 2147.43 g/mol, XLogP of 24.48, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-cyclopropylphenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(3,5-difluorophenyl)methyl]-1-(2-pyrimidin-4-ylbenzoyl)piperidine-4-carbonitrile;4-[(4-fluorophenyl)methyl]-1-(5-fluoro-2-pyridin-4-ylbenzoyl)piperidine-4-carbonitrile;1-(2-pyrimidin-4-ylbenzoyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carbonitrile is sourced from PubChem (CID 167543773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).