(3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C25H30N4O4 — CID 125003814

About (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 125003814) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
• PubChem CID: 125003814
• Molecular Formula: C25H30N4O4
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.23
• IUPAC Name: (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
• SMILES: CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCCN3CCCC3=O)c2)C1
• InChI: InChI=1S/C25H30N4O4/c1-26-24(32)25(21-9-2-3-12-27-21)11-6-14-29(18-25)23(31)19-7-4-8-20(17-19)33-16-15-28-13-5-10-22(28)30/h2-4,7-9,12,17H,5-6,10-11,13-16,18H2,1H3,(H,26,32)/t25-/m1/s1
• InChIKey: SUCRAPDBPZPTPS-RUZDIDTESA-N
• XLogP: 2.00
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The IUPAC name of (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 125003814) is (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The canonical SMILES for (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCCN3CCCC3=O)c2)C1.

What is the InChIKey of (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

The InChIKey is SUCRAPDBPZPTPS-RUZDIDTESA-N. The full InChI is InChI=1S/C25H30N4O4/c1-26-24(32)25(21-9-2-3-12-27-21)11-6-14-29(18-25)23(31)19-7-4-8-20(17-19)33-16-15-28-13-5-10-22(28)30/h2-4,7-9,12,17H,5-6,10-11,13-16,18H2,1H3,(H,26,32)/t25-/m1/s1.

What are the key properties of (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?

(3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 125003814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).