N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride

C14H29ClN2O — CID 119345447

IUPACN-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride
SMILESCCC(CC)(CC)CNC(=O)C1CCCCN1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-4-14(5-2,6-3)11-16-13(17)12-9-7-8-10-15-12;/h12,15H,4-11H2,1-3H3,(H,16,17);1H
InChIKeyJBVFNDBGNOZEGF-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.88
Rot. Bonds6

About N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride

N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119345447) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119345447
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC NameN-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride
SMILESCCC(CC)(CC)CNC(=O)C1CCCCN1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-4-14(5-2,6-3)11-16-13(17)12-9-7-8-10-15-12;/h12,15H,4-11H2,1-3H3,(H,16,17);1H
InChIKeyJBVFNDBGNOZEGF-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668
N-(3-ethylpentan-3-yl)piperidine-2-carboxamide
CID 65039048
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826
2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 104901372
(2R)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119724295
(2R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidine-2-carboxamide
CID 106148323
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
N-(2-ethoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119280657
(2S)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 93398876
ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119290922
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
(2R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119689244

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride (CID 119345447) is N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride is CCC(CC)(CC)CNC(=O)C1CCCCN1.Cl.
What is the InChIKey of N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is JBVFNDBGNOZEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-4-14(5-2,6-3)11-16-13(17)12-9-7-8-10-15-12;/h12,15H,4-11H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride?
N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethylbutyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119345447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).