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

C19H21ClN2O — CID 90128547

IUPACN-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(Cl)c(-c2ccc(NC(=O)C3CCNCC3)cc2)c1
InChIInChI=1S/C19H21ClN2O/c1-13-2-7-18(20)17(12-13)14-3-5-16(6-4-14)22-19(23)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11H2,1H3,(H,22,23)
InChIKeyHYBLHVHDGFXHQF-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.25
Rot. Bonds3

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

N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 90128547) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide
PubChem CID90128547
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(Cl)c(-c2ccc(NC(=O)C3CCNCC3)cc2)c1
InChIInChI=1S/C19H21ClN2O/c1-13-2-7-18(20)17(12-13)14-3-5-16(6-4-14)22-19(23)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11H2,1H3,(H,22,23)
InChIKeyHYBLHVHDGFXHQF-UHFFFAOYSA-N
XLogP4.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 90128549
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 119317112
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119326813
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide (CID 90128547) is N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide is Cc1ccc(Cl)c(-c2ccc(NC(=O)C3CCNCC3)cc2)c1.
What is the InChIKey of N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is HYBLHVHDGFXHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13-2-7-18(20)17(12-13)14-3-5-16(6-4-14)22-19(23)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11H2,1H3,(H,22,23).
What are the key properties of N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide?
N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 90128547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).