1-benzoyl-N-hydroxypiperidine-4-carboxamide

C13H16N2O3 — CID 54586003

IUPAC1-benzoyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(14-18)10-6-8-15(9-7-10)13(17)11-4-2-1-3-5-11/h1-5,10,18H,6-9H2,(H,14,16)
InChIKeyIXVHSICNELFQTF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.04
Rot. Bonds2

About 1-benzoyl-N-hydroxypiperidine-4-carboxamide

1-benzoyl-N-hydroxypiperidine-4-carboxamide (PubChem CID 54586003) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-benzoyl-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-hydroxypiperidine-4-carboxamide
PubChem CID54586003
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-benzoyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H16N2O3/c16-12(14-18)10-6-8-15(9-7-10)13(17)11-4-2-1-3-5-11/h1-5,10,18H,6-9H2,(H,14,16)
InChIKeyIXVHSICNELFQTF-UHFFFAOYSA-N
XLogP1.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-hydroxypiperidine-4-carboxamide (CID 54586003) is 1-benzoyl-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-hydroxypiperidine-4-carboxamide is O=C(NO)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-hydroxypiperidine-4-carboxamide?
The InChIKey is IXVHSICNELFQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(14-18)10-6-8-15(9-7-10)13(17)11-4-2-1-3-5-11/h1-5,10,18H,6-9H2,(H,14,16).
What are the key properties of 1-benzoyl-N-hydroxypiperidine-4-carboxamide?
1-benzoyl-N-hydroxypiperidine-4-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 54586003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).