N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride

C14H29ClN2O — CID 119261605

IUPACN-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride
SMILESCCCCC(CC)CNC(=O)C1CCCCN1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-3-5-8-12(4-2)11-16-14(17)13-9-6-7-10-15-13;/h12-13,15H,3-11H2,1-2H3,(H,16,17);1H
InChIKeyJGLUFFMWVPVHQM-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.88
Rot. Bonds7

About N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride

N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119261605) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119261605
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC NameN-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride
SMILESCCCCC(CC)CNC(=O)C1CCCCN1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-3-5-8-12(4-2)11-16-14(17)13-9-6-7-10-15-13;/h12-13,15H,3-11H2,1-2H3,(H,16,17);1H
InChIKeyJGLUFFMWVPVHQM-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119339774
3-[(azepane-2-carbonylamino)methyl]pentanoic acid
CID 81072934
(2R)-N-(2-hydroxypentyl)piperidine-2-carboxamide
CID 103811163
N-(2-aminopropyl)piperidine-2-carboxamide;hydrochloride
CID 130685962
N-[2-(2-hydroxyethyl)-4-methylpentyl]piperidine-2-carboxamide
CID 119343080
N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053
(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119859201
4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914026
(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615953
(3R)-N-(2-ethylhexyl)piperidine-3-carboxamide
CID 81141050
2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 65224542
(2S)-N-(3-hydroxypentyl)piperidine-2-carboxamide
CID 103810229

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride (CID 119261605) is N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride is CCCCC(CC)CNC(=O)C1CCCCN1.Cl.
What is the InChIKey of N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is JGLUFFMWVPVHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-3-5-8-12(4-2)11-16-14(17)13-9-6-7-10-15-13;/h12-13,15H,3-11H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride?
N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119261605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).