N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide

C22H26N2O2 — CID 109046805

IUPACN-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCc1ccccc1CNC(=O)c1ccc(C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-6-5-13-24(15-16)22(26)19-11-9-18(10-12-19)21(25)23-14-20-8-4-3-7-17(20)2/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,23,25)
InChIKeyHZHMJPLIASAEDD-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.80
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide

N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide (PubChem CID 109046805) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide
PubChem CID109046805
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide
SMILESCc1ccccc1CNC(=O)c1ccc(C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-16-6-5-13-24(15-16)22(26)19-11-9-18(10-12-19)21(25)23-14-20-8-4-3-7-17(20)2/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,23,25)
InChIKeyHZHMJPLIASAEDD-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-[(3R)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-[(2-methylphenyl)methyl]benzamide
CID 92898459
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
1-(4-tert-butylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003956
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109047024
N-[(2-methylphenyl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26114390
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
2,4-dimethyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714039
6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109327489
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide (CID 109046805) is N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide is Cc1ccccc1CNC(=O)c1ccc(C(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide?
The InChIKey is HZHMJPLIASAEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-6-5-13-24(15-16)22(26)19-11-9-18(10-12-19)21(25)23-14-20-8-4-3-7-17(20)2/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,23,25).
What are the key properties of N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide?
N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109046805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).