1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide

C14H18Cl2N2O — CID 43918333

IUPAC1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H18Cl2N2O/c1-17-14(19)10-4-3-7-18(8-10)9-11-12(15)5-2-6-13(11)16/h2,5-6,10H,3-4,7-9H2,1H3,(H,17,19)
InChIKeyYEPPHZHWAXOZQT-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.95
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 43918333) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID43918333
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H18Cl2N2O/c1-17-14(19)10-4-3-7-18(8-10)9-11-12(15)5-2-6-13(11)16/h2,5-6,10H,3-4,7-9H2,1H3,(H,17,19)
InChIKeyYEPPHZHWAXOZQT-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 74237935
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 43918890
N-[1-(4-chlorophenyl)ethyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 133260443
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490450
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 43918333) is 1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is YEPPHZHWAXOZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-17-14(19)10-4-3-7-18(8-10)9-11-12(15)5-2-6-13(11)16/h2,5-6,10H,3-4,7-9H2,1H3,(H,17,19).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 43918333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).