1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide

C18H26N2O2 — CID 15312227

IUPAC1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-3-4-13-19-17(22)18(2)12-8-11-16(21)20(18)14-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,19,22)
InChIKeyQODGOZNDVNNFLU-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.87
Rot. Bonds6

About 1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide

1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide (PubChem CID 15312227) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide
PubChem CID15312227
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H26N2O2/c1-3-4-13-19-17(22)18(2)12-8-11-16(21)20(18)14-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,19,22)
InChIKeyQODGOZNDVNNFLU-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.87
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-benzyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247154
N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 46363621
N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 46363610
N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247167
(2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 92734293
(2S)-1-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731044
N-benzyl-2-methyl-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 46247148
N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 46363694
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247157
(2R)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92734308
(2R)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92731008
(2S)-1-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730947

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide (CID 15312227) is 1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide is CCCCNC(=O)C1(C)CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide?
The InChIKey is QODGOZNDVNNFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-4-13-19-17(22)18(2)12-8-11-16(21)20(18)14-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,19,22).
What are the key properties of 1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide?
1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 15312227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).