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

C108H120F2N22O10 — CID 160749789

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

5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine (PubChem CID 160749789) has the molecular formula C108H120F2N22O10 and a molecular weight of 1926.30 g/mol. Its IUPAC name is 5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine.

Molecular Properties

• Compound Name: 5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine
• PubChem CID: 160749789
• Molecular Formula: C108H120F2N22O10
• Molecular Weight: 1926.30 g/mol
• Exact Mass: 1924.97
• IUPAC Name: 5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine
• SMILES: CC(=O)c1ccc(C(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)nc1.CC(=O)c1ccc(C(=O)O)nc1.N#Cc1ccc(CN2CCC(N)CC2)cc1.N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.[2H]CF.[2H]CF.[C-]#[N+]c1ccc(CN2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4)nc3)CC2)cc1.[C-]#[N+]c1ccc(CN2CCNCC2)cc1
• InChI: InChI=1S/C32H33N7O2.C21H22N4O2.C20H20N4O3.C13H17N3.C12H15N3.C8H7NO3.2CH3F/c1-34-28-9-6-26(7-10-28)23-38-16-18-39(19-17-38)32(41)27-8-11-30(35-21-27)31(40)36-29-12-14-37(15-13-29)22-25-4-2-24(20-33)3-5-25;1-15(26)18-6-7-20(23-13-18)21(27)24-19-8-10-25(11-9-19)14-17-4-2-16(12-22)3-5-17;21-11-14-1-3-15(4-2-14)13-24-9-7-17(8-10-24)23-19(25)18-6-5-16(12-22-18)20(26)27;14-9-11-1-3-12(4-2-11)10-16-7-5-13(15)6-8-16;1-13-12-4-2-11(3-5-12)10-15-8-6-14-7-9-15;1-5(10)6-2-3-7(8(11)12)9-4-6;2*1-2/h2-11,21,29H,12-19,22-23H2,(H,36,40);2-7,13,19H,8-11,14H2,1H3,(H,24,27);1-6,12,17H,7-10,13H2,(H,23,25)(H,26,27);1-4,13H,5-8,10,15H2;2-5,14H,6-10H2;2-4H,1H3,(H,11,12);2*1H3/i;;;;;;2*1D
• InChIKey: RWQWXFRBUMYPGW-XFJGWZLZSA-N
• XLogP: 13.73
• TPSA: 429.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.30
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine?

The IUPAC name of 5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine (CID 160749789) is 5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine.

What is the SMILES notation for 5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine?

The canonical SMILES for 5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine is CC(=O)c1ccc(C(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)nc1.CC(=O)c1ccc(C(=O)O)nc1.N#Cc1ccc(CN2CCC(N)CC2)cc1.N#Cc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.[2H]CF.[2H]CF.[C-]#[N+]c1ccc(CN2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(C#N)cc5)CC4)nc3)CC2)cc1.[C-]#[N+]c1ccc(CN2CCNCC2)cc1.

What is the InChIKey of 5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine?

The InChIKey is RWQWXFRBUMYPGW-XFJGWZLZSA-N. The full InChI is InChI=1S/C32H33N7O2.C21H22N4O2.C20H20N4O3.C13H17N3.C12H15N3.C8H7NO3.2CH3F/c1-34-28-9-6-26(7-10-28)23-38-16-18-39(19-17-38)32(41)27-8-11-30(35-21-27)31(40)36-29-12-14-37(15-13-29)22-25-4-2-24(20-33)3-5-25;1-15(26)18-6-7-20(23-13-18)21(27)24-19-8-10-25(11-9-19)14-17-4-2-16(12-22)3-5-17;21-11-14-1-3-15(4-2-14)13-24-9-7-17(8-10-24)23-19(25)18-6-5-16(12-22-18)20(26)27;14-9-11-1-3-12(4-2-11)10-16-7-5-13(15)6-8-16;1-13-12-4-2-11(3-5-12)10-15-8-6-14-7-9-15;1-5(10)6-2-3-7(8(11)12)9-4-6;2*1-2/h2-11,21,29H,12-19,22-23H2,(H,36,40);2-7,13,19H,8-11,14H2,1H3,(H,24,27);1-6,12,17H,7-10,13H2,(H,23,25)(H,26,27);1-4,13H,5-8,10,15H2;2-5,14H,6-10H2;2-4H,1H3,(H,11,12);2*1H3/i;;;;;;2*1D.

What are the key properties of 5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine?

5-acetyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine has a molecular weight of 1926.30 g/mol, XLogP of 13.73, 23 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-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide;5-acetylpyridine-2-carboxylic acid;4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid;N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[(4-isocyanophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide;deuterio(fluoro)methane;1-[(4-isocyanophenyl)methyl]piperazine is sourced from PubChem (CID 160749789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).