N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide

C27H33N3O4 — CID 42869320

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CC(c2ccccc2)CN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C27H33N3O4/c31-25-13-7-15-29(25)16-8-14-28-27(33)23-17-22(21-9-3-1-4-10-21)18-30(19-23)26(32)20-34-24-11-5-2-6-12-24/h1-6,9-12,22-23H,7-8,13-20H2,(H,28,33)
InChIKeyIRYVYHWUVHYERY-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.83
Rot. Bonds9

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 42869320) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide
PubChem CID42869320
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CC(c2ccccc2)CN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C27H33N3O4/c31-25-13-7-15-29(25)16-8-14-28-27(33)23-17-22(21-9-3-1-4-10-21)18-30(19-23)26(32)20-34-24-11-5-2-6-12-24/h1-6,9-12,22-23H,7-8,13-20H2,(H,28,33)
InChIKeyIRYVYHWUVHYERY-UHFFFAOYSA-N
XLogP2.83
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 42869336
1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid
CID 42869303
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
(3R,5R)-1-N-butyl-5-phenyl-3-N-(2-pyrrolidin-1-ylethyl)piperidine-1,3-dicarboxamide
CID 92995666
2-(4-formylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 78788687
1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42868388
N-[2-(2-oxoazepan-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52989414
1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 43066133
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 46684406
1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42906722
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55863884

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide (CID 42869320) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide is O=C(NCCCN1CCCC1=O)C1CC(c2ccccc2)CN(C(=O)COc2ccccc2)C1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is IRYVYHWUVHYERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c31-25-13-7-15-29(25)16-8-14-28-27(33)23-17-22(21-9-3-1-4-10-21)18-30(19-23)26(32)20-34-24-11-5-2-6-12-24/h1-6,9-12,22-23H,7-8,13-20H2,(H,28,33).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42869320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).