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

C12H26ClN3O — CID 120636684

IUPAC(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(C)CCNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-4-15(3)8-7-14-12(16)11-5-6-13-10(2)9-11;/h10-11,13H,4-9H2,1-3H3,(H,14,16);1H/t10-,11-;/m0./s1
InChIKeyVHOAMNOAKBGQPB-ACMTZBLWSA-N
MW263.81 g/mol
LogP0.86
Rot. Bonds5

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

(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120636684) has the molecular formula C12H26ClN3O and a molecular weight of 263.81 g/mol. Its IUPAC name is (2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120636684
Molecular FormulaC12H26ClN3O
Molecular Weight263.81 g/mol
Exact Mass263.18
IUPAC Name(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(C)CCNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-4-15(3)8-7-14-12(16)11-5-6-13-10(2)9-11;/h10-11,13H,4-9H2,1-3H3,(H,14,16);1H/t10-,11-;/m0./s1
InChIKeyVHOAMNOAKBGQPB-ACMTZBLWSA-N
XLogP0.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635209
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
CID 106832156
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120624764
3-amino-N-[2-[ethyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866077
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
(3S)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-3-carboxamide
CID 81140340
(2R)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119866061
(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62641676
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889
(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide
CID 120622256

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120636684) is (2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CCN(C)CCNC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VHOAMNOAKBGQPB-ACMTZBLWSA-N. The full InChI is InChI=1S/C12H25N3O.ClH/c1-4-15(3)8-7-14-12(16)11-5-6-13-10(2)9-11;/h10-11,13H,4-9H2,1-3H3,(H,14,16);1H/t10-,11-;/m0./s1.
What are the key properties of (2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120636684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).