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

C19H32N2O2 — CID 66709536

IUPAC1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.CO
InChIInChI=1S/C18H28N2O.CH4O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;1-2/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);2H,1H3
InChIKeyFOWIURHHGZPMOV-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.51
Rot. Bonds5

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

1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol (PubChem CID 66709536) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol.

Molecular Properties

Compound Name1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
PubChem CID66709536
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.CO
InChIInChI=1S/C18H28N2O.CH4O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;1-2/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);2H,1H3
InChIKeyFOWIURHHGZPMOV-UHFFFAOYSA-N
XLogP3.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
(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
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104
(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;methanol?
The IUPAC name of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol (CID 66709536) is 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol.
What is the SMILES notation for 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol?
The canonical SMILES for 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol is CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.CO.
What is the InChIKey of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol?
The InChIKey is FOWIURHHGZPMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.CH4O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;1-2/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);2H,1H3.
What are the key properties of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol?
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol has a molecular weight of 320.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol is sourced from PubChem (CID 66709536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).