(3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C20H26ClN3O3 — CID 25460654

About (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

(3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 25460654) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
• PubChem CID: 25460654
• Molecular Formula: C20H26ClN3O3
• Molecular Weight: 391.90 g/mol
• Exact Mass: 391.17
• IUPAC Name: (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
• SMILES: O=C(NCc1ccccc1Cl)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1
• InChI: InChI=1S/C20H26ClN3O3/c21-17-6-2-1-5-15(17)13-22-20(27)16-8-9-19(26)24(14-16)12-4-11-23-10-3-7-18(23)25/h1-2,5-6,16H,3-4,7-14H2,(H,22,27)/t16-/m1/s1
• InChIKey: UPJFTHMAWVJLFK-MRXNPFEDSA-N
• XLogP: 2.21
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.90
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 25460654) is (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is O=C(NCc1ccccc1Cl)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1.

What is the InChIKey of (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?

The InChIKey is UPJFTHMAWVJLFK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c21-17-6-2-1-5-15(17)13-22-20(27)16-8-9-19(26)24(14-16)12-4-11-23-10-3-7-18(23)25/h1-2,5-6,16H,3-4,7-14H2,(H,22,27)/t16-/m1/s1.

What are the key properties of (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?

(3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 25460654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).