N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride

C13H27ClN2O — CID 119263583

IUPACN-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CCC(C)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)4-5-11(3)15-13(16)12-6-8-14-9-7-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeySJCLMEXWLHSNJG-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.35
Rot. Bonds5

About N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride

N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119263583) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119263583
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC NameN-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCC(C)CCC(C)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)4-5-11(3)15-13(16)12-6-8-14-9-7-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeySJCLMEXWLHSNJG-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
3-(piperidine-4-carbonylamino)butanoic acid
CID 61161192
N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 115734464
5-(piperidine-4-carbonylamino)hexanoic acid
CID 82844939
N-(1-hydroxy-4-methylpentan-2-yl)piperidine-4-carboxamide
CID 61246607
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63842489
N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034
N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
CID 64603419
N-(1,3-dihydroxypropan-2-yl)piperidine-4-carboxamide
CID 65314727
N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119288096
N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 43579241

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride (CID 119263583) is N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride is CC(C)CCC(C)NC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is SJCLMEXWLHSNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(2)4-5-11(3)15-13(16)12-6-8-14-9-7-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride?
N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119263583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).