N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide

C24H38N4O2 — CID 95777113

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 95777113) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide
• PubChem CID: 95777113
• Molecular Formula: C24H38N4O2
• Molecular Weight: 414.59 g/mol
• Exact Mass: 414.30
• IUPAC Name: N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc(N2CC[C@@H](N3CCC(C(=O)NCC(C)(C)CN(C)C)CC3)C2=O)cc1
• InChI: InChI=1S/C24H38N4O2/c1-18-6-8-20(9-7-18)28-15-12-21(23(28)30)27-13-10-19(11-14-27)22(29)25-16-24(2,3)17-26(4)5/h6-9,19,21H,10-17H2,1-5H3,(H,25,29)/t21-/m1/s1
• InChIKey: CVOLTUPXHDQAMK-OAQYLSRUSA-N
• XLogP: 2.52
• TPSA: 55.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.59
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide?

The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide (CID 95777113) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide is Cc1ccc(N2CC[C@@H](N3CCC(C(=O)NCC(C)(C)CN(C)C)CC3)C2=O)cc1.

What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide?

The InChIKey is CVOLTUPXHDQAMK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-18-6-8-20(9-7-18)28-15-12-21(23(28)30)27-13-10-19(11-14-27)22(29)25-16-24(2,3)17-26(4)5/h6-9,19,21H,10-17H2,1-5H3,(H,25,29)/t21-/m1/s1.

What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide?

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 95777113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).