N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide

C116H166N24O15S4 — CID 159268043

About N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide

N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide (PubChem CID 159268043) has the molecular formula C116H166N24O15S4 and a molecular weight of 2265.02 g/mol. Its IUPAC name is N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide
• PubChem CID: 159268043
• Molecular Formula: C116H166N24O15S4
• Molecular Weight: 2265.02 g/mol
• Exact Mass: 2263.18
• IUPAC Name: N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide
• SMILES: CC(=O)N1CCC(CC(=O)N(Cc2ccsc2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)CC1.COCCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N3CCOCC3)nc2C)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CCc2ccncc2)CC1
• InChI: InChI=1S/C30H44N6O3S.C29H42N6O5S.C29H38N6O2S.C28H42N6O5S/c1-21(5-11-31-30(39)29-22(2)32-20-33-23(29)3)34-14-8-27(9-15-34)36(18-26-10-16-40-19-26)28(38)17-25-6-12-35(13-7-25)24(4)37;1-20-17-25(28(37)34-12-14-40-15-13-34)31-22(3)26(20)27(36)30-9-5-21(2)33-10-6-24(7-11-33)35(29(38)32-39-4)18-23-8-16-41-19-23;1-21(6-14-31-29(37)28-22(2)32-20-33-23(28)3)34-15-9-26(10-16-34)35(18-25-11-17-38-19-25)27(36)5-4-24-7-12-30-13-8-24;1-19-16-24(26(35)30-11-14-38-4)31-21(3)25(19)27(36)29-10-6-20(2)33-12-7-23(8-13-33)34(28(37)32-39-5)17-22-9-15-40-18-22/h10,16,19-21,25,27H,5-9,11-15,17-18H2,1-4H3,(H,31,39);8,16-17,19,21,24H,5-7,9-15,18H2,1-4H3,(H,30,36)(H,32,38);7-8,11-13,17,19-21,26H,4-6,9-10,14-16,18H2,1-3H3,(H,31,37);9,15-16,18,20,23H,6-8,10-14,17H2,1-5H3,(H,29,36)(H,30,35)(H,32,37)/t;21-;;20-/m.1.1/s1
• InChIKey: KXIWDTIBUTUHLO-BZRQPNMPSA-N
• XLogP: 13.85
• TPSA: 431.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 44
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2265.02
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide?

The IUPAC name of N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide (CID 159268043) is N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide.

What is the SMILES notation for N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide?

The canonical SMILES for N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide is CC(=O)N1CCC(CC(=O)N(Cc2ccsc2)C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)CC1.COCCNC(=O)c1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)n1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)N3CCOCC3)nc2C)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)CCc2ccncc2)CC1.

What is the InChIKey of N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide?

The InChIKey is KXIWDTIBUTUHLO-BZRQPNMPSA-N. The full InChI is InChI=1S/C30H44N6O3S.C29H42N6O5S.C29H38N6O2S.C28H42N6O5S/c1-21(5-11-31-30(39)29-22(2)32-20-33-23(29)3)34-14-8-27(9-15-34)36(18-26-10-16-40-19-26)28(38)17-25-6-12-35(13-7-25)24(4)37;1-20-17-25(28(37)34-12-14-40-15-13-34)31-22(3)26(20)27(36)30-9-5-21(2)33-10-6-24(7-11-33)35(29(38)32-39-4)18-23-8-16-41-19-23;1-21(6-14-31-29(37)28-22(2)32-20-33-23(28)3)34-15-9-26(10-16-34)35(18-25-11-17-38-19-25)27(36)5-4-24-7-12-30-13-8-24;1-19-16-24(26(35)30-11-14-38-4)31-21(3)25(19)27(36)29-10-6-20(2)33-12-7-23(8-13-33)34(28(37)32-39-5)17-22-9-15-40-18-22/h10,16,19-21,25,27H,5-9,11-15,17-18H2,1-4H3,(H,31,39);8,16-17,19,21,24H,5-7,9-15,18H2,1-4H3,(H,30,36)(H,32,38);7-8,11-13,17,19-21,26H,4-6,9-10,14-16,18H2,1-3H3,(H,31,37);9,15-16,18,20,23H,6-8,10-14,17H2,1-5H3,(H,29,36)(H,30,35)(H,32,37)/t;21-;;20-/m.1.1/s1.

What are the key properties of N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide?

N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide has a molecular weight of 2265.02 g/mol, XLogP of 13.85, 44 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[[2-(1-acetylpiperidin-4-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;4,6-dimethyl-N-[3-[4-[3-pyridin-4-ylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(morpholine-4-carbonyl)pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2-N-(2-methoxyethyl)-4,6-dimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 159268043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).