N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol

C25H40N4O4 — CID 143229497

About N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol

N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol (PubChem CID 143229497) has the molecular formula C25H40N4O4 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol.

Molecular Properties

• Compound Name: N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol
• PubChem CID: 143229497
• Molecular Formula: C25H40N4O4
• Molecular Weight: 460.62 g/mol
• Exact Mass: 460.30
• IUPAC Name: N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol
• SMILES: CO.COc1cc(N2CCCC2=O)cnc1N1CCCC(CCN(C=O)C2CCCCC2)C1
• InChI: InChI=1S/C24H36N4O3.CH4O/c1-31-22-15-21(28-13-6-10-23(28)30)16-25-24(22)26-12-5-7-19(17-26)11-14-27(18-29)20-8-3-2-4-9-20;1-2/h15-16,18-20H,2-14,17H2,1H3;2H,1H3
• InChIKey: VQBNUXDQOGEMDH-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 86.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.62
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol?

The IUPAC name of N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol (CID 143229497) is N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol.

What is the SMILES notation for N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol?

The canonical SMILES for N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol is CO.COc1cc(N2CCCC2=O)cnc1N1CCCC(CCN(C=O)C2CCCCC2)C1.

What is the InChIKey of N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol?

The InChIKey is VQBNUXDQOGEMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3.CH4O/c1-31-22-15-21(28-13-6-10-23(28)30)16-25-24(22)26-12-5-7-19(17-26)11-14-27(18-29)20-8-3-2-4-9-20;1-2/h15-16,18-20H,2-14,17H2,1H3;2H,1H3.

What are the key properties of N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol?

N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol has a molecular weight of 460.62 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-[2-[1-[3-methoxy-5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide;methanol is sourced from PubChem (CID 143229497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).