1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide

C25H39N5O2 — CID 42287597

About 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide

1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 42287597) has the molecular formula C25H39N5O2 and a molecular weight of 441.62 g/mol. Its IUPAC name is 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide
• PubChem CID: 42287597
• Molecular Formula: C25H39N5O2
• Molecular Weight: 441.62 g/mol
• Exact Mass: 441.31
• IUPAC Name: 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide
• SMILES: Cc1cccc(CN2CCC(N3CCC(C(=O)NCCN4CCCCC4=O)CC3)CC2)n1
• InChI: InChI=1S/C25H39N5O2/c1-20-5-4-6-22(27-20)19-28-14-10-23(11-15-28)29-16-8-21(9-17-29)25(32)26-12-18-30-13-3-2-7-24(30)31/h4-6,21,23H,2-3,7-19H2,1H3,(H,26,32)
• InChIKey: VWSYSFULKORTTH-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 68.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.62
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide (CID 42287597) is 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide is Cc1cccc(CN2CCC(N3CCC(C(=O)NCCN4CCCCC4=O)CC3)CC2)n1.

What is the InChIKey of 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide?

The InChIKey is VWSYSFULKORTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O2/c1-20-5-4-6-22(27-20)19-28-14-10-23(11-15-28)29-16-8-21(9-17-29)25(32)26-12-18-30-13-3-2-7-24(30)31/h4-6,21,23H,2-3,7-19H2,1H3,(H,26,32).

What are the key properties of 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide?

1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 441.62 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 42287597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).