N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride

C14H29ClN2O — CID 119262989

IUPACN-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)CCCC(C)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)6-4-7-12(3)16-14(17)13-8-5-9-15-10-13;/h11-13,15H,4-10H2,1-3H3,(H,16,17);1H
InChIKeyQLCMEBNRIASUEN-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.74
Rot. Bonds6

About N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride

N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119262989) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID119262989
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC NameN-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(C)CCCC(C)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)6-4-7-12(3)16-14(17)13-8-5-9-15-10-13;/h11-13,15H,4-10H2,1-3H3,(H,16,17);1H
InChIKeyQLCMEBNRIASUEN-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid
CID 82846519
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
(3R)-N-[1-(dimethylamino)propan-2-yl]piperidine-3-carboxamide
CID 82945148
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
N-(2,2,6-trimethylheptan-3-yl)piperidine-3-carboxamide;hydrochloride
CID 119325328
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 18073012
N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954138

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride (CID 119262989) is N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride is CC(C)CCCC(C)NC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is QLCMEBNRIASUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-11(2)6-4-7-12(3)16-14(17)13-8-5-9-15-10-13;/h11-13,15H,4-10H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride?
N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119262989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).