(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C18H30ClN3O — CID 120636390

IUPAC(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)[C@H]1CCN[C@@H](C)C1)N(C)Cc1ccccc1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-14-11-17(9-10-19-14)18(22)20-12-15(2)21(3)13-16-7-5-4-6-8-16;/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,20,22);1H/t14-,15?,17-;/m0./s1
InChIKeyPYCSPMKJMTVKEV-SVZQHNNKSA-N
MW339.91 g/mol
LogP2.43
Rot. Bonds6

About (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120636390) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120636390
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC Name(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)[C@H]1CCN[C@@H](C)C1)N(C)Cc1ccccc1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-14-11-17(9-10-19-14)18(22)20-12-15(2)21(3)13-16-7-5-4-6-8-16;/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,20,22);1H/t14-,15?,17-;/m0./s1
InChIKeyPYCSPMKJMTVKEV-SVZQHNNKSA-N
XLogP2.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120636391
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621886
(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631379
N-[2-[benzyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119885733
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
N-[2-[benzyl(methyl)amino]propyl]morpholine-2-carboxamide
CID 119885731
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 120635934
(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631658

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120636390) is (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CC(CNC(=O)[C@H]1CCN[C@@H](C)C1)N(C)Cc1ccccc1.Cl.
What is the InChIKey of (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is PYCSPMKJMTVKEV-SVZQHNNKSA-N. The full InChI is InChI=1S/C18H29N3O.ClH/c1-14-11-17(9-10-19-14)18(22)20-12-15(2)21(3)13-16-7-5-4-6-8-16;/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,20,22);1H/t14-,15?,17-;/m0./s1.
What are the key properties of (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-[benzyl(methyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).