4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C23H32N4O2S — CID 172659458

About 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 172659458) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 172659458
• Molecular Formula: C23H32N4O2S
• Molecular Weight: 428.60 g/mol
• Exact Mass: 428.22
• IUPAC Name: 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
• SMILES: Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)NC1CCN(Cc2cccs2)CC1
• InChI: InChI=1S/C23H32N4O2S/c1-17-6-12-27(15-18-4-2-9-24-14-18)23(29)21(17)22(28)25-19-7-10-26(11-8-19)16-20-5-3-13-30-20/h3,5-6,12-13,18-19,24H,2,4,7-11,14-16H2,1H3,(H,25,28)
• InChIKey: SUYMLIXPVXQBNO-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 66.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.60
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 172659458) is 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)NC1CCN(Cc2cccs2)CC1.

What is the InChIKey of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is SUYMLIXPVXQBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-17-6-12-27(15-18-4-2-9-24-14-18)23(29)21(17)22(28)25-19-7-10-26(11-8-19)16-20-5-3-13-30-20/h3,5-6,12-13,18-19,24H,2,4,7-11,14-16H2,1H3,(H,25,28).

What are the key properties of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?

4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 172659458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).