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

C13H27ClN2O — CID 119789194

IUPAC(2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
SMILESCCC(C)CC(C)NC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-10(2)9-11(3)15-13(16)12-7-5-6-8-14-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H/t10?,11?,12-;/m1./s1
InChIKeyRDYNJYKWAGSYOK-LLIZLLTLSA-N
MW262.82 g/mol
LogP2.49
Rot. Bonds5

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

(2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119789194) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is (2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
PubChem CID119789194
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name(2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
SMILESCCC(C)CC(C)NC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-10(2)9-11(3)15-13(16)12-7-5-6-8-14-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H/t10?,11?,12-;/m1./s1
InChIKeyRDYNJYKWAGSYOK-LLIZLLTLSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
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N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride
CID 119860546
methyl 3-[[(2R)-piperidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119695157
methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119274282
N-(5,5-dimethylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119330827
(2R)-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 103812007
(2R)-N-(1-ethylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 103811787
N-(3-methylpentan-2-yl)azepane-2-carboxamide
CID 64564622
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
(2S)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119330672
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride (CID 119789194) is (2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride is CCC(C)CC(C)NC(=O)[C@H]1CCCCN1.Cl.
What is the InChIKey of (2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is RDYNJYKWAGSYOK-LLIZLLTLSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-4-10(2)9-11(3)15-13(16)12-7-5-6-8-14-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H/t10?,11?,12-;/m1./s1.
What are the key properties of (2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride?
(2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119789194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).