(2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride

C16H23Cl3N2O — CID 120624877

IUPAC(2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H22Cl2N2O.ClH/c1-3-20(10-12-4-5-14(17)15(18)9-12)16(21)13-6-7-19-11(2)8-13;/h4-5,9,11,13,19H,3,6-8,10H2,1-2H3;1H/t11-,13-;/m0./s1
InChIKeyZMRGROFMSRMQQS-JZKFLRDJSA-N
MW365.73 g/mol
LogP4.15
Rot. Bonds4

About (2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120624877) has the molecular formula C16H23Cl3N2O and a molecular weight of 365.73 g/mol. Its IUPAC name is (2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120624877
Molecular FormulaC16H23Cl3N2O
Molecular Weight365.73 g/mol
Exact Mass364.09
IUPAC Name(2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H22Cl2N2O.ClH/c1-3-20(10-12-4-5-14(17)15(18)9-12)16(21)13-6-7-19-11(2)8-13;/h4-5,9,11,13,19H,3,6-8,10H2,1-2H3;1H/t11-,13-;/m0./s1
InChIKeyZMRGROFMSRMQQS-JZKFLRDJSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.73
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 119743617
(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120640700
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 120618183
(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 120616057
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide
CID 106738635
(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120617441
[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637219
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
(2S,4S)-N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide;hydrochloride
CID 120618135
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120624877) is (2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZMRGROFMSRMQQS-JZKFLRDJSA-N. The full InChI is InChI=1S/C16H22Cl2N2O.ClH/c1-3-20(10-12-4-5-14(17)15(18)9-12)16(21)13-6-7-19-11(2)8-13;/h4-5,9,11,13,19H,3,6-8,10H2,1-2H3;1H/t11-,13-;/m0./s1.
What are the key properties of (2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 365.73 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).