(2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C15H25ClN4O — CID 120640192

IUPAC(2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2cccc(N(C)C)n2)CCN1.Cl
InChIInChI=1S/C15H24N4O.ClH/c1-11-9-12(7-8-16-11)15(20)17-10-13-5-4-6-14(18-13)19(2)3;/h4-6,11-12,16H,7-10H2,1-3H3,(H,17,20);1H/t11-,12-;/m0./s1
InChIKeyRUEJPJTYPFUPRP-FXMYHANSSA-N
MW312.85 g/mol
LogP1.57
Rot. Bonds4

About (2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120640192) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is (2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120640192
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name(2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCc2cccc(N(C)C)n2)CCN1.Cl
InChIInChI=1S/C15H24N4O.ClH/c1-11-9-12(7-8-16-11)15(20)17-10-13-5-4-6-14(18-13)19(2)3;/h4-6,11-12,16H,7-10H2,1-3H3,(H,17,20);1H/t11-,12-;/m0./s1
InChIKeyRUEJPJTYPFUPRP-FXMYHANSSA-N
XLogP1.57
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide
CID 102560663
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633158
5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid
CID 167835995
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
(2S,4S)-2-methyl-N-[[3-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630059
(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631658
2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 106739789
(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120631128
(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631379
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120640192) is (2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCc2cccc(N(C)C)n2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is RUEJPJTYPFUPRP-FXMYHANSSA-N. The full InChI is InChI=1S/C15H24N4O.ClH/c1-11-9-12(7-8-16-11)15(20)17-10-13-5-4-6-14(18-13)19(2)3;/h4-6,11-12,16H,7-10H2,1-3H3,(H,17,20);1H/t11-,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 312.85 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120640192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).