(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C19H32ClN3O — CID 120631658

IUPAC(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)Cc1ccccc1CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-4-22(5-2)14-18-9-7-6-8-17(18)13-21-19(23)16-10-11-20-15(3)12-16;/h6-9,15-16,20H,4-5,10-14H2,1-3H3,(H,21,23);1H/t15-,16-;/m0./s1
InChIKeyFDNJOLITPYTNDK-MOGJOVFKSA-N
MW353.94 g/mol
LogP2.95
Rot. Bonds7

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

(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120631658) has the molecular formula C19H32ClN3O and a molecular weight of 353.94 g/mol. Its IUPAC name is (2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120631658
Molecular FormulaC19H32ClN3O
Molecular Weight353.94 g/mol
Exact Mass353.22
IUPAC Name(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)Cc1ccccc1CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-4-22(5-2)14-18-9-7-6-8-17(18)13-21-19(23)16-10-11-20-15(3)12-16;/h6-9,15-16,20H,4-5,10-14H2,1-3H3,(H,21,23);1H/t15-,16-;/m0./s1
InChIKeyFDNJOLITPYTNDK-MOGJOVFKSA-N
XLogP2.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.94
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836069
3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119836070
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60717846
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-2-methyl-N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120631432
(2S,4S)-2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120626375
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120633841
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013782

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120631658) is (2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CCN(CC)Cc1ccccc1CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is FDNJOLITPYTNDK-MOGJOVFKSA-N. The full InChI is InChI=1S/C19H31N3O.ClH/c1-4-22(5-2)14-18-9-7-6-8-17(18)13-21-19(23)16-10-11-20-15(3)12-16;/h6-9,15-16,20H,4-5,10-14H2,1-3H3,(H,21,23);1H/t15-,16-;/m0./s1.
What are the key properties of (2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 353.94 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120631658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).