1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide

C18H28N2O — CID 2474

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IUPAC1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
InChIKeyLEBVLXFERQHONN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.90
Rot. Bonds5

About 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide

1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (PubChem CID 2474) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
PubChem CID2474
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
InChIKeyLEBVLXFERQHONN-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (CID 2474) is 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide is CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.
What is the InChIKey of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide?
The InChIKey is LEBVLXFERQHONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21).
What are the key properties of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide?
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 2474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).