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

C26H28N2O2 — CID 44522117

IUPAC1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(NC(=O)C3CCN(Cc4cccc(O)c4)CC3)cc2)c1
InChIInChI=1S/C26H28N2O2/c1-19-4-2-6-23(16-19)21-8-10-24(11-9-21)27-26(30)22-12-14-28(15-13-22)18-20-5-3-7-25(29)17-20/h2-11,16-17,22,29H,12-15,18H2,1H3,(H,27,30)
InChIKeyGSFXOFIVWMXRTM-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.22
Rot. Bonds5

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

1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 44522117) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
PubChem CID44522117
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCc1cccc(-c2ccc(NC(=O)C3CCN(Cc4cccc(O)c4)CC3)cc2)c1
InChIInChI=1S/C26H28N2O2/c1-19-4-2-6-23(16-19)21-8-10-24(11-9-21)27-26(30)22-12-14-28(15-13-22)18-20-5-3-7-25(29)17-20/h2-11,16-17,22,29H,12-15,18H2,1H3,(H,27,30)
InChIKeyGSFXOFIVWMXRTM-UHFFFAOYSA-N
XLogP5.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (CID 44522117) is 1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4cccc(O)c4)CC3)cc2)c1.
What is the InChIKey of 1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is GSFXOFIVWMXRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-19-4-2-6-23(16-19)21-8-10-24(11-9-21)27-26(30)22-12-14-28(15-13-22)18-20-5-3-7-25(29)17-20/h2-11,16-17,22,29H,12-15,18H2,1H3,(H,27,30).
What are the key properties of 1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 44522117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).