N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C25H37N3O2 — CID 5309860

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C25H37N3O2/c29-24-18-22(19-28(24)23-9-4-5-10-23)25(30)26-13-6-14-27-15-11-21(12-16-27)17-20-7-2-1-3-8-20/h1-3,7-8,21-23H,4-6,9-19H2,(H,26,30)
InChIKeyMYGWHAFGLKCPJC-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.24
Rot. Bonds8

About N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 5309860) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID5309860
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C25H37N3O2/c29-24-18-22(19-28(24)23-9-4-5-10-23)25(30)26-13-6-14-27-15-11-21(12-16-27)17-20-7-2-1-3-8-20/h1-3,7-8,21-23H,4-6,9-19H2,(H,26,30)
InChIKeyMYGWHAFGLKCPJC-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 5309860) is N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MYGWHAFGLKCPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c29-24-18-22(19-28(24)23-9-4-5-10-23)25(30)26-13-6-14-27-15-11-21(12-16-27)17-20-7-2-1-3-8-20/h1-3,7-8,21-23H,4-6,9-19H2,(H,26,30).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 411.59 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 5309860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).