N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide

C13H16Cl2N2O — CID 4591854

IUPACN-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O/c1-9-3-2-6-17(8-9)13(18)16-12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyQFCDOITYSHZQCJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.26
Rot. Bonds1

About N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide

N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 4591854) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
PubChem CID4591854
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O/c1-9-3-2-6-17(8-9)13(18)16-12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyQFCDOITYSHZQCJ-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 40635770
N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 81273796
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150113
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966816
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide (CID 4591854) is N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is QFCDOITYSHZQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-9-3-2-6-17(8-9)13(18)16-12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide?
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 4591854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).