1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide

C21H30N2O2 — CID 75379144

IUPAC1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide
SMILESO=C1CCCCN1CCCCNC(=O)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C21H30N2O2/c24-19-11-4-6-15-23(19)16-7-5-14-22-20(25)21(12-8-13-21)17-18-9-2-1-3-10-18/h1-3,9-10H,4-8,11-17H2,(H,22,25)
InChIKeyZEDXJSXQVLGYTI-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.31
Rot. Bonds8

About 1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide

1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide (PubChem CID 75379144) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide
PubChem CID75379144
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide
SMILESO=C1CCCCN1CCCCNC(=O)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C21H30N2O2/c24-19-11-4-6-15-23(19)16-7-5-14-22-20(25)21(12-8-13-21)17-18-9-2-1-3-10-18/h1-3,9-10H,4-8,11-17H2,(H,22,25)
InChIKeyZEDXJSXQVLGYTI-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
benzyl 2-[[1-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclopentyl]methyl]-3-phenoxypropanoate
CID 59892212
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600561
1-(3-methylphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]cyclopropane-1-carboxamide
CID 56818462
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide (CID 75379144) is 1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide is O=C1CCCCN1CCCCNC(=O)C1(Cc2ccccc2)CCC1.
What is the InChIKey of 1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide?
The InChIKey is ZEDXJSXQVLGYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-19-11-4-6-15-23(19)16-7-5-14-22-20(25)21(12-8-13-21)17-18-9-2-1-3-10-18/h1-3,9-10H,4-8,11-17H2,(H,22,25).
What are the key properties of 1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide?
1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 75379144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).