(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide

C14H18Cl2N2O — CID 93369186

IUPAC(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C14H18Cl2N2O/c1-18(14(19)13-4-2-3-7-17-13)9-10-5-6-11(15)8-12(10)16/h5-6,8,13,17H,2-4,7,9H2,1H3/t13-/m1/s1
InChIKeyYPLPMXNFSFQKLU-CYBMUJFWSA-N
MW301.22 g/mol
LogP3.09
Rot. Bonds3

About (2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide

(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 93369186) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID93369186
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C14H18Cl2N2O/c1-18(14(19)13-4-2-3-7-17-13)9-10-5-6-11(15)8-12(10)16/h5-6,8,13,17H,2-4,7,9H2,1H3/t13-/m1/s1
InChIKeyYPLPMXNFSFQKLU-CYBMUJFWSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067660
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60945392
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367483
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785
(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61164507

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 93369186) is (2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is YPLPMXNFSFQKLU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-18(14(19)13-4-2-3-7-17-13)9-10-5-6-11(15)8-12(10)16/h5-6,8,13,17H,2-4,7,9H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide?
(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 93369186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).