5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine

C115H130F4N20O14 — CID 158036385

IUPAC5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine
SMILESC1CC1.C1CC1.C1CC1.CC(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc1.CC(=O)c1ccc(C(=O)O)nc1.Fc1ccc(CN2CCNCC2)cc1.N#Cc1ccc(C(=O)N2CCC(N)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)N4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.[2H]CF.[2H]CF
InChIInChI=1S/C31H31FN6O3.C21H20N4O3.C20H18N4O4.C13H15N3O.C11H15FN2.C8H7NO3.3C3H6.2CH3F/c32-26-8-3-23(4-9-26)21-36-15-17-38(18-16-36)31(41)25-7-10-28(34-20-25)29(39)35-27-11-13-37(14-12-27)30(40)24-5-1-22(19-33)2-6-24;1-14(26)17-6-7-19(23-13-17)20(27)24-18-8-10-25(11-9-18)21(28)16-4-2-15(12-22)3-5-16;21-11-13-1-3-14(4-2-13)19(26)24-9-7-16(8-10-24)23-18(25)17-6-5-15(12-22-17)20(27)28;14-9-10-1-3-11(4-2-10)13(17)16-7-5-12(15)6-8-16;12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;1-5(10)6-2-3-7(8(11)12)9-4-6;3*1-2-3-1;2*1-2/h1-10,20,27H,11-18,21H2,(H,35,39);2-7,13,18H,8-11H2,1H3,(H,24,27);1-6,12,16H,7-10H2,(H,23,25)(H,27,28);1-4,12H,5-8,15H2;1-4,13H,5-9H2;2-4H,1H3,(H,11,12);3*1-3H2;2*1H3/i;;;;;;;;;2*1D
InChIKeyFHUIXJBSWFXUOS-NGXFZVAHSA-N
MW2094.44 g/mol
LogP14.98
Rot. Bonds19

About 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine

5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine (PubChem CID 158036385) has the molecular formula C115H130F4N20O14 and a molecular weight of 2094.44 g/mol. Its IUPAC name is 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine
PubChem CID158036385
Molecular FormulaC115H130F4N20O14
Molecular Weight2094.44 g/mol
Exact Mass2093.01
IUPAC Name5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine
SMILESC1CC1.C1CC1.C1CC1.CC(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc1.CC(=O)c1ccc(C(=O)O)nc1.Fc1ccc(CN2CCNCC2)cc1.N#Cc1ccc(C(=O)N2CCC(N)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)N4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.[2H]CF.[2H]CF
InChIInChI=1S/C31H31FN6O3.C21H20N4O3.C20H18N4O4.C13H15N3O.C11H15FN2.C8H7NO3.3C3H6.2CH3F/c32-26-8-3-23(4-9-26)21-36-15-17-38(18-16-36)31(41)25-7-10-28(34-20-25)29(39)35-27-11-13-37(14-12-27)30(40)24-5-1-22(19-33)2-6-24;1-14(26)17-6-7-19(23-13-17)20(27)24-18-8-10-25(11-9-18)21(28)16-4-2-15(12-22)3-5-16;21-11-13-1-3-14(4-2-13)19(26)24-9-7-16(8-10-24)23-18(25)17-6-5-15(12-22-17)20(27)28;14-9-10-1-3-11(4-2-10)13(17)16-7-5-12(15)6-8-16;12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;1-5(10)6-2-3-7(8(11)12)9-4-6;3*1-2-3-1;2*1-2/h1-10,20,27H,11-18,21H2,(H,35,39);2-7,13,18H,8-11H2,1H3,(H,24,27);1-6,12,16H,7-10H2,(H,23,25)(H,27,28);1-4,12H,5-8,15H2;1-4,13H,5-9H2;2-4H,1H3,(H,11,12);3*1-3H2;2*1H3/i;;;;;;;;;2*1D
InChIKeyFHUIXJBSWFXUOS-NGXFZVAHSA-N
XLogP14.98
TPSA488.84 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002094.44
LogP ≤ 514.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine 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

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine (CID 158036385) is 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine is C1CC1.C1CC1.C1CC1.CC(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc1.CC(=O)c1ccc(C(=O)O)nc1.Fc1ccc(CN2CCNCC2)cc1.N#Cc1ccc(C(=O)N2CCC(N)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)N4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1.N#Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.[2H]CF.[2H]CF.
What is the InChIKey of 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is FHUIXJBSWFXUOS-NGXFZVAHSA-N. The full InChI is InChI=1S/C31H31FN6O3.C21H20N4O3.C20H18N4O4.C13H15N3O.C11H15FN2.C8H7NO3.3C3H6.2CH3F/c32-26-8-3-23(4-9-26)21-36-15-17-38(18-16-36)31(41)25-7-10-28(34-20-25)29(39)35-27-11-13-37(14-12-27)30(40)24-5-1-22(19-33)2-6-24;1-14(26)17-6-7-19(23-13-17)20(27)24-18-8-10-25(11-9-18)21(28)16-4-2-15(12-22)3-5-16;21-11-13-1-3-14(4-2-13)19(26)24-9-7-16(8-10-24)23-18(25)17-6-5-15(12-22-17)20(27)28;14-9-10-1-3-11(4-2-10)13(17)16-7-5-12(15)6-8-16;12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;1-5(10)6-2-3-7(8(11)12)9-4-6;3*1-2-3-1;2*1-2/h1-10,20,27H,11-18,21H2,(H,35,39);2-7,13,18H,8-11H2,1H3,(H,24,27);1-6,12,16H,7-10H2,(H,23,25)(H,27,28);1-4,12H,5-8,15H2;1-4,13H,5-9H2;2-4H,1H3,(H,11,12);3*1-3H2;2*1H3/i;;;;;;;;;2*1D.
What are the key properties of 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine?
5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 2094.44 g/mol, XLogP of 14.98, 19 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;6-[[1-(4-cyanobenzoyl)piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;cyclopropane;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 158036385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).