N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide

C14H18Cl2N2O — CID 106738532

IUPACN-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2CCNC(C)C2)c1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-8-3-4-11(15)13(12(8)16)18-14(19)10-5-6-17-9(2)7-10/h3-4,9-10,17H,5-7H2,1-2H3,(H,18,19)
InChIKeyXTNXMWRHHJGVNB-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.63
Rot. Bonds2

About N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide

N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 106738532) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide
PubChem CID106738532
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2CCNC(C)C2)c1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-8-3-4-11(15)13(12(8)16)18-14(19)10-5-6-17-9(2)7-10/h3-4,9-10,17H,5-7H2,1-2H3,(H,18,19)
InChIKeyXTNXMWRHHJGVNB-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427824
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106740543
(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615925
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106738599
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120616178
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide
CID 106740789
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide (CID 106738532) is N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide is Cc1ccc(Cl)c(NC(=O)C2CCNC(C)C2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is XTNXMWRHHJGVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-8-3-4-11(15)13(12(8)16)18-14(19)10-5-6-17-9(2)7-10/h3-4,9-10,17H,5-7H2,1-2H3,(H,18,19).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide?
N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106738532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).