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

C36H56N4O2 — CID 77242336

IUPAC1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/2C18H28N2O/c2*1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h2*8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
InChIKeyDXSMVIDEKFJHNT-UHFFFAOYSA-N
MW576.87 g/mol
LogP7.79
Rot. Bonds10

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

1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (PubChem CID 77242336) has the molecular formula C36H56N4O2 and a molecular weight of 576.87 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 CID77242336
Molecular FormulaC36H56N4O2
Molecular Weight576.87 g/mol
Exact Mass576.44
IUPAC Name1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/2C18H28N2O/c2*1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h2*8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
InChIKeyDXSMVIDEKFJHNT-UHFFFAOYSA-N
XLogP7.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.87
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
CID 66615074
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide
CID 122503909
(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide
CID 151727892
[2-(2,6-dimethylanilino)-2-oxoethyl]-[8-[2-[(2,6-dimethylphenyl)carbamoyl]piperidin-1-yl]octyl]-ethyl-propylazanium
CID 139406977

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 77242336) 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.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.
What is the InChIKey of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide?
The InChIKey is DXSMVIDEKFJHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H28N2O/c2*1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h2*8-10,16H,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 576.87 g/mol, XLogP of 7.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 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 77242336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).