(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

C15H21Cl2FN2O — CID 120640700

IUPAC(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(Cl)c(F)c2)CCN1.Cl
InChIInChI=1S/C15H20ClFN2O.ClH/c1-10-7-12(5-6-18-10)15(20)19(2)9-11-3-4-13(16)14(17)8-11;/h3-4,8,10,12,18H,5-7,9H2,1-2H3;1H/t10-,12-;/m0./s1
InChIKeyUKZFAAKNDJHODX-JGAZGGJJSA-N
MW335.25 g/mol
LogP3.25
Rot. Bonds3

About (2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120640700) has the molecular formula C15H21Cl2FN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is (2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
PubChem CID120640700
Molecular FormulaC15H21Cl2FN2O
Molecular Weight335.25 g/mol
Exact Mass334.10
IUPAC Name(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(Cl)c(F)c2)CCN1.Cl
InChIInChI=1S/C15H20ClFN2O.ClH/c1-10-7-12(5-6-18-10)15(20)19(2)9-11-3-4-13(16)14(17)8-11;/h3-4,8,10,12,18H,5-7,9H2,1-2H3;1H/t10-,12-;/m0./s1
InChIKeyUKZFAAKNDJHODX-JGAZGGJJSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride (CID 120640700) is (2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(Cl)c(F)c2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UKZFAAKNDJHODX-JGAZGGJJSA-N. The full InChI is InChI=1S/C15H20ClFN2O.ClH/c1-10-7-12(5-6-18-10)15(20)19(2)9-11-3-4-13(16)14(17)8-11;/h3-4,8,10,12,18H,5-7,9H2,1-2H3;1H/t10-,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 335.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120640700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).