N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C21H25ClN2O — CID 45016956

IUPACN-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C21H25ClN2O/c1-15-5-3-4-6-18(15)14-24-11-9-17(10-12-24)21(25)23-20-13-19(22)8-7-16(20)2/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyDYUOIQZCSCVIDE-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.81
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 45016956) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID45016956
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C21H25ClN2O/c1-15-5-3-4-6-18(15)14-24-11-9-17(10-12-24)21(25)23-20-13-19(22)8-7-16(20)2/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyDYUOIQZCSCVIDE-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007259
1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 45007317
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 52682709
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921605
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
N-(5-chloro-2-methoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45007817
1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 45012369
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
(3R)-N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641466

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 45016956) is N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DYUOIQZCSCVIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-15-5-3-4-6-18(15)14-24-11-9-17(10-12-24)21(25)23-20-13-19(22)8-7-16(20)2/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 356.90 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45016956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).