1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide

C18H28N2O2 — CID 795619

IUPAC1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C18H28N2O2/c1-14(2)7-10-19-18(22)15-8-11-20(12-9-15)13-16-5-3-4-6-17(16)21/h3-6,14-15,21H,7-13H2,1-2H3,(H,19,22)
InChIKeyIRUJGTKYXQLPRX-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.77
Rot. Bonds6

About 1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide

1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 795619) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID795619
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C18H28N2O2/c1-14(2)7-10-19-18(22)15-8-11-20(12-9-15)13-16-5-3-4-6-17(16)21/h3-6,14-15,21H,7-13H2,1-2H3,(H,19,22)
InChIKeyIRUJGTKYXQLPRX-UHFFFAOYSA-N
XLogP2.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.77
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-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide (CID 795619) is 1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is IRUJGTKYXQLPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)7-10-19-18(22)15-8-11-20(12-9-15)13-16-5-3-4-6-17(16)21/h3-6,14-15,21H,7-13H2,1-2H3,(H,19,22).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide?
1-[(2-hydroxyphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.77, 6 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-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 795619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).