1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide

C27H30N2O3 — CID 23723741

IUPAC1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCOc1cccc(O)c1CN1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1
InChIInChI=1S/C27H30N2O3/c1-19-5-3-6-22(17-19)20-9-11-23(12-10-20)28-27(31)21-13-15-29(16-14-21)18-24-25(30)7-4-8-26(24)32-2/h3-12,17,21,30H,13-16,18H2,1-2H3,(H,28,31)
InChIKeyHGNOQQFCBMFMNQ-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.23
Rot. Bonds6

About 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide

1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 23723741) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
PubChem CID23723741
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
SMILESCOc1cccc(O)c1CN1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1
InChIInChI=1S/C27H30N2O3/c1-19-5-3-6-22(17-19)20-9-11-23(12-10-20)28-27(31)21-13-15-29(16-14-21)18-24-25(30)7-4-8-26(24)32-2/h3-12,17,21,30H,13-16,18H2,1-2H3,(H,28,31)
InChIKeyHGNOQQFCBMFMNQ-UHFFFAOYSA-N
XLogP5.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide (CID 23723741) is 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is COc1cccc(O)c1CN1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1.
What is the InChIKey of 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is HGNOQQFCBMFMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-19-5-3-6-22(17-19)20-9-11-23(12-10-20)28-27(31)21-13-15-29(16-14-21)18-24-25(30)7-4-8-26(24)32-2/h3-12,17,21,30H,13-16,18H2,1-2H3,(H,28,31).
What are the key properties of 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide?
1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 23723741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).