(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C15H31ClN2O — CID 120615953

IUPAC(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCC(CC)CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-4-6-7-13(5-2)11-17-15(18)14-8-9-16-12(3)10-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H/t12-,13?,14-;/m0./s1
InChIKeyURFFGXSFSXAQOK-CGTXZGBVSA-N
MW290.88 g/mol
LogP3.13
Rot. Bonds7

About (2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120615953) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is (2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120615953
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Name(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCC(CC)CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-4-6-7-13(5-2)11-17-15(18)14-8-9-16-12(3)10-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H/t12-,13?,14-;/m0./s1
InChIKeyURFFGXSFSXAQOK-CGTXZGBVSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053
2-ethylhexyl 2-methylpiperidine-4-carboxylate
CID 106743792
N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride
CID 119261605
(3R)-N-(2-ethylhexyl)piperidine-3-carboxamide
CID 81141050
2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974196
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723
ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120633653
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
CID 120634648
(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639864
N-(5-hydroxypentan-2-yl)-2-methylpiperidine-4-carboxamide
CID 106740348

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120615953) is (2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride is CCCCC(CC)CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is URFFGXSFSXAQOK-CGTXZGBVSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-4-6-7-13(5-2)11-17-15(18)14-8-9-16-12(3)10-14;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H/t12-,13?,14-;/m0./s1.
What are the key properties of (2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120615953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).