1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide

C17H26N2O2 — CID 883895

IUPAC1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)11-18-17(21)14-7-9-19(10-8-14)12-15-5-3-4-6-16(15)20/h3-6,13-14,20H,7-12H2,1-2H3,(H,18,21)
InChIKeyAYMZDIFTCINUMI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.38
Rot. Bonds5

About 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide

1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 883895) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID883895
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)11-18-17(21)14-7-9-19(10-8-14)12-15-5-3-4-6-16(15)20/h3-6,13-14,20H,7-12H2,1-2H3,(H,18,21)
InChIKeyAYMZDIFTCINUMI-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 883895) is 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is AYMZDIFTCINUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)11-18-17(21)14-7-9-19(10-8-14)12-15-5-3-4-6-16(15)20/h3-6,13-14,20H,7-12H2,1-2H3,(H,18,21).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 883895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).