N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide

C20H23ClN2O — CID 90128549

IUPACN-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide
SMILESCc1ccc(Cl)c(-c2ccc(NC(=O)C3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H23ClN2O/c1-14-3-8-19(21)18(13-14)15-4-6-17(7-5-15)22-20(24)16-9-11-23(2)12-10-16/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyXMNIFIIAOFNNER-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.60
Rot. Bonds3

About N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide

N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide (PubChem CID 90128549) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide
PubChem CID90128549
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide
SMILESCc1ccc(Cl)c(-c2ccc(NC(=O)C3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H23ClN2O/c1-14-3-8-19(21)18(13-14)15-4-6-17(7-5-15)22-20(24)16-9-11-23(2)12-10-16/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyXMNIFIIAOFNNER-UHFFFAOYSA-N
XLogP4.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-chloro-5-methylphenyl)phenyl]piperidine-4-carboxamide
CID 90128547
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
4-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 67371224
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide
CID 151770985
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide (CID 90128549) is N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide is Cc1ccc(Cl)c(-c2ccc(NC(=O)C3CCN(C)CC3)cc2)c1.
What is the InChIKey of N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is XMNIFIIAOFNNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-14-3-8-19(21)18(13-14)15-4-6-17(7-5-15)22-20(24)16-9-11-23(2)12-10-16/h3-8,13,16H,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide?
N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 342.87 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 90128549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).