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

C107H114F4N20O13 — CID 159137401

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

bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine (PubChem CID 159137401) has the molecular formula C107H114F4N20O13 and a molecular weight of 1966.22 g/mol. Its IUPAC name is bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

• Compound Name: bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine
• PubChem CID: 159137401
• Molecular Formula: C107H114F4N20O13
• Molecular Weight: 1966.22 g/mol
• Exact Mass: 1964.89
• IUPAC Name: bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine
• SMILES: CC(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc1.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.[2H]CF.[2H]CF
• InChI: InChI=1S/C31H31FN6O3.2C21H20N4O3.C13H15N3O.C11H15FN2.C8H7NO3.2CH3F/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;2*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;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;2*1-2/h1-10,20,27H,11-18,21H2,(H,35,39);2*2-7,13,18H,8-11H2,1H3,(H,24,27);1-4,12H,5-8,15H2;1-4,13H,5-9H2;2-4H,1H3,(H,11,12);2*1H3/i;;;;;;2*1D
• InChIKey: KHQZWPDTHMKQMC-XFJGWZLZSA-N
• XLogP: 11.97
• TPSA: 468.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1966.22
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine?

The IUPAC name of bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine (CID 159137401) is bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine.

What is the SMILES notation for bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine?

The canonical SMILES for bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine is CC(=O)c1ccc(C(=O)NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc1.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.[2H]CF.[2H]CF.

What is the InChIKey of bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine?

The InChIKey is KHQZWPDTHMKQMC-XFJGWZLZSA-N. The full InChI is InChI=1S/C31H31FN6O3.2C21H20N4O3.C13H15N3O.C11H15FN2.C8H7NO3.2CH3F/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;2*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;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;2*1-2/h1-10,20,27H,11-18,21H2,(H,35,39);2*2-7,13,18H,8-11H2,1H3,(H,24,27);1-4,12H,5-8,15H2;1-4,13H,5-9H2;2-4H,1H3,(H,11,12);2*1H3/i;;;;;;2*1D.

What are the key properties of bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine?

bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 1966.22 g/mol, XLogP of 11.97, 19 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-acetyl-N-[1-(4-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide);5-acetylpyridine-2-carboxylic acid;4-(4-aminopiperidine-1-carbonyl)benzonitrile;N-[1-(4-cyanobenzoyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 159137401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).