(3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C26H32N4O3 — CID 92591819

About (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92591819) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 92591819
• Molecular Formula: C26H32N4O3
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.25
• IUPAC Name: (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1
• InChI: InChI=1S/C26H32N4O3/c1-3-28-25(33)26(16-20-7-4-5-8-22(20)19-9-12-27-13-10-19)11-6-14-30(18-26)24(32)21-15-23(31)29(2)17-21/h4-5,7-10,12-13,21H,3,6,11,14-18H2,1-2H3,(H,28,33)/t21-,26-/m1/s1
• InChIKey: DQZBSAWCXSVUGK-QFQXNSOFSA-N
• XLogP: 2.51
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92591819) is (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1.

What is the InChIKey of (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is DQZBSAWCXSVUGK-QFQXNSOFSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-3-28-25(33)26(16-20-7-4-5-8-22(20)19-9-12-27-13-10-19)11-6-14-30(18-26)24(32)21-15-23(31)29(2)17-21/h4-5,7-10,12-13,21H,3,6,11,14-18H2,1-2H3,(H,28,33)/t21-,26-/m1/s1.

What are the key properties of (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?

(3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92591819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).