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

C21H29N3O3 — CID 23723685

IUPAC6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C21H29N3O3/c25-19-8-4-13-23(19)14-5-15-24-16-18(9-10-20(24)26)21(27)22-12-11-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,22,27)
InChIKeyJSYNBVFEOPMKSK-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.60
Rot. Bonds8

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

6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 23723685) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID23723685
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C21H29N3O3/c25-19-8-4-13-23(19)14-5-15-24-16-18(9-10-20(24)26)21(27)22-12-11-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,22,27)
InChIKeyJSYNBVFEOPMKSK-UHFFFAOYSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
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1-(2-Phenylethyl)-3-[(2-phenylethyl)amino]pyrrolidine-2,5-dione
CID 2853912
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 3663590
1-cyclopentyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
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CID 6462581

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 23723685) is 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCc1ccccc1)C1CCC(=O)N(CCCN2CCCC2=O)C1.
What is the InChIKey of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is JSYNBVFEOPMKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-19-8-4-13-23(19)14-5-15-24-16-18(9-10-20(24)26)21(27)22-12-11-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,22,27).
What are the key properties of 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 23723685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).