N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C22H26N2O2 — CID 113006134

IUPACN-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-17-6-5-9-20(16-17)23-22(26)19-12-14-24(15-13-19)21(25)11-10-18-7-3-2-4-8-18/h2-9,16,19H,10-15H2,1H3,(H,23,26)
InChIKeyCHHABBRLAJAZMN-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.80
Rot. Bonds5

About N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 113006134) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID113006134
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-17-6-5-9-20(16-17)23-22(26)19-12-14-24(15-13-19)21(25)11-10-18-7-3-2-4-8-18/h2-9,16,19H,10-15H2,1H3,(H,23,26)
InChIKeyCHHABBRLAJAZMN-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
N-(3-cyclopentylsulfonylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46410338
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
methyl 3-[2-[3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]phenyl]ethynyl]benzoate
CID 55633143
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148972
N-[3-[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 56588395
1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 51329229
2-cyclopentyl-N-(3-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 42843600
3-(3-methylphenyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1-(2-phenylethyl)urea
CID 42699913
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 113006134) is N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is CHHABBRLAJAZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-6-5-9-20(16-17)23-22(26)19-12-14-24(15-13-19)21(25)11-10-18-7-3-2-4-8-18/h2-9,16,19H,10-15H2,1H3,(H,23,26).
What are the key properties of N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).