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

C21H29N3O4 — CID 24793100

IUPAC6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C21H29N3O4/c25-19-8-4-12-23(19)13-5-14-24-16-17(9-10-20(24)26)21(27)22-11-15-28-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16H2,(H,22,27)
InChIKeyGULKQNUTBPQOSW-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.43
Rot. Bonds9

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

6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide (PubChem CID 24793100) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide
PubChem CID24793100
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C21H29N3O4/c25-19-8-4-12-23(19)13-5-14-24-16-17(9-10-20(24)26)21(27)22-11-15-28-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16H2,(H,22,27)
InChIKeyGULKQNUTBPQOSW-UHFFFAOYSA-N
XLogP1.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide (CID 24793100) is 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide is O=C(NCCOc1ccccc1)C1CCC(=O)N(CCCN2CCCC2=O)C1.
What is the InChIKey of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The InChIKey is GULKQNUTBPQOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c25-19-8-4-12-23(19)13-5-14-24-16-17(9-10-20(24)26)21(27)22-11-15-28-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16H2,(H,22,27).
What are the key properties of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide?
6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24793100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).