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

C28H30N2O2 — CID 23723599

IUPAC1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c1
InChIInChI=1S/C28H30N2O2/c1-20-5-3-8-26(17-20)23-9-11-27(12-10-23)29-28(32)24-13-15-30(16-14-24)19-22-6-4-7-25(18-22)21(2)31/h3-12,17-18,24H,13-16,19H2,1-2H3,(H,29,32)
InChIKeyORDASLITCHSRQI-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.72
Rot. Bonds6

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

1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 23723599) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
PubChem CID23723599
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c1
InChIInChI=1S/C28H30N2O2/c1-20-5-3-8-26(17-20)23-9-11-27(12-10-23)29-28(32)24-13-15-30(16-14-24)19-22-6-4-7-25(18-22)21(2)31/h3-12,17-18,24H,13-16,19H2,1-2H3,(H,29,32)
InChIKeyORDASLITCHSRQI-UHFFFAOYSA-N
XLogP5.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (CID 23723599) is 1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is CC(=O)c1cccc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c1.
What is the InChIKey of 1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is ORDASLITCHSRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-20-5-3-8-26(17-20)23-9-11-27(12-10-23)29-28(32)24-13-15-30(16-14-24)19-22-6-4-7-25(18-22)21(2)31/h3-12,17-18,24H,13-16,19H2,1-2H3,(H,29,32).
What are the key properties of 1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-acetylphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 23723599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).