N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide

C14H18Cl2N2O — CID 104727176

IUPACN-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)C2(C)CCCNC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9-6-11(16)12(7-10(9)15)18-13(19)14(2)4-3-5-17-8-14/h6-7,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyOXQRLWAHRRZMLD-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.63
Rot. Bonds2

About N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide

N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide (PubChem CID 104727176) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
PubChem CID104727176
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
SMILESCc1cc(Cl)c(NC(=O)C2(C)CCCNC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-9-6-11(16)12(7-10(9)15)18-13(19)14(2)4-3-5-17-8-14/h6-7,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyOXQRLWAHRRZMLD-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-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 104723664
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944066
N-(2,5-dichloro-4-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 104727096
3-methyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132333
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide
CID 119944512
4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131872
5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
CID 107790194
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate
CID 63130618
N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide
CID 104757822
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide (CID 104727176) is N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide is Cc1cc(Cl)c(NC(=O)C2(C)CCCNC2)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is OXQRLWAHRRZMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9-6-11(16)12(7-10(9)15)18-13(19)14(2)4-3-5-17-8-14/h6-7,17H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide?
N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-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-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 104727176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).