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

C22H25ClN2O2 — CID 113007259

IUPACN-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1ccccc1CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C22H25ClN2O2/c1-15-5-3-4-6-18(15)13-21(26)25-11-9-17(10-12-25)22(27)24-20-14-19(23)8-7-16(20)2/h3-8,14,17H,9-13H2,1-2H3,(H,24,27)
InChIKeyDNQXYMWXDOKTLP-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.38
Rot. Bonds4

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

N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113007259) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID113007259
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1ccccc1CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1
InChIInChI=1S/C22H25ClN2O2/c1-15-5-3-4-6-18(15)13-21(26)25-11-9-17(10-12-25)22(27)24-20-14-19(23)8-7-16(20)2/h3-8,14,17H,9-13H2,1-2H3,(H,24,27)
InChIKeyDNQXYMWXDOKTLP-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007639
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
1-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24565591
N-(5-chloro-2-methylphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126025508
(3R)-N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641466
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005543
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147946
N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24635780

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide (CID 113007259) is N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide is Cc1ccccc1CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is DNQXYMWXDOKTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15-5-3-4-6-18(15)13-21(26)25-11-9-17(10-12-25)22(27)24-20-14-19(23)8-7-16(20)2/h3-8,14,17H,9-13H2,1-2H3,(H,24,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.38, 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-(2-methylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113007259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).