4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide

C20H22N2O3 — CID 32934030

IUPAC4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H22N2O3/c23-19-8-4-5-14-22(19)17-11-9-16(10-12-17)20(24)21-13-15-25-18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,21,24)
InChIKeyFDKKIFJNUCMTTE-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.01
Rot. Bonds6

About 4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide

4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide (PubChem CID 32934030) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
PubChem CID32934030
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H22N2O3/c23-19-8-4-5-14-22(19)17-11-9-16(10-12-17)20(24)21-13-15-25-18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,21,24)
InChIKeyFDKKIFJNUCMTTE-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.01
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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Related Compounds

N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32644603
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55747231
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
N-[2-(4-methylphenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9425252
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490231
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 51081174
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide (CID 32934030) is 4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide is O=C(NCCOc1ccccc1)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide?
The InChIKey is FDKKIFJNUCMTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19-8-4-5-14-22(19)17-11-9-16(10-12-17)20(24)21-13-15-25-18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,21,24).
What are the key properties of 4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide?
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 32934030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).