N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C22H27N3O2 — CID 45019946

IUPACN-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-16-6-8-18(9-7-16)15-25-12-10-19(11-13-25)22(27)24-21-5-3-4-20(14-21)23-17(2)26/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXZQJTRDSEOZING-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.80
Rot. Bonds5

About N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide

N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 45019946) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID45019946
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-16-6-8-18(9-7-16)15-25-12-10-19(11-13-25)22(27)24-21-5-3-4-20(14-21)23-17(2)26/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXZQJTRDSEOZING-UHFFFAOYSA-N
XLogP3.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 43919037
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019585
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019725
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 45019946) is N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XZQJTRDSEOZING-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-6-8-18(9-7-16)15-25-12-10-19(11-13-25)22(27)24-21-5-3-4-20(14-21)23-17(2)26/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45019946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).