N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide

C13H16Cl2N2O — CID 106738581

IUPACN-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1
InChIInChI=1S/C13H16Cl2N2O/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-11(14)12(15)7-10/h2-3,7-9,16H,4-6H2,1H3,(H,17,18)
InChIKeyQOLBAFWATFKYMZ-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.32
Rot. Bonds2

About N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide

N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 106738581) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
PubChem CID106738581
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1
InChIInChI=1S/C13H16Cl2N2O/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-11(14)12(15)7-10/h2-3,7-9,16H,4-6H2,1H3,(H,17,18)
InChIKeyQOLBAFWATFKYMZ-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
(2S,4S)-N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633632
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624364
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide (CID 106738581) is N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is QOLBAFWATFKYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8-6-9(4-5-16-8)13(18)17-10-2-3-11(14)12(15)7-10/h2-3,7-9,16H,4-6H2,1H3,(H,17,18).
What are the key properties of N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide?
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106738581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).