(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

C15H21Cl2N3O2 — CID 119718954

IUPAC(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1cc(NC(=O)[C@H]2CCCCN2)ccc1Cl.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-19(2)15(21)11-9-10(6-7-12(11)16)18-14(20)13-5-3-4-8-17-13;/h6-7,9,13,17H,3-5,8H2,1-2H3,(H,18,20);1H/t13-;/m1./s1
InChIKeyUMBNESKTWGPBPY-BTQNPOSSSA-N
MW346.26 g/mol
LogP2.54
Rot. Bonds3

About (2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride

(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119718954) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is (2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119718954
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1cc(NC(=O)[C@H]2CCCCN2)ccc1Cl.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-19(2)15(21)11-9-10(6-7-12(11)16)18-14(20)13-5-3-4-8-17-13;/h6-7,9,13,17H,3-5,8H2,1-2H3,(H,18,20);1H/t13-;/m1./s1
InChIKeyUMBNESKTWGPBPY-BTQNPOSSSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119684891
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 43702382
N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide
CID 119286306
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378598
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119266222

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119718954) is (2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is CN(C)C(=O)c1cc(NC(=O)[C@H]2CCCCN2)ccc1Cl.Cl.
What is the InChIKey of (2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is UMBNESKTWGPBPY-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H20ClN3O2.ClH/c1-19(2)15(21)11-9-10(6-7-12(11)16)18-14(20)13-5-3-4-8-17-13;/h6-7,9,13,17H,3-5,8H2,1-2H3,(H,18,20);1H/t13-;/m1./s1.
What are the key properties of (2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride?
(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119718954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).