4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide

C16H22N2O3 — CID 54584126

IUPAC4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide
SMILESO=C(CCCC1CCN(C(=O)c2ccccc2)CC1)NO
InChIInChI=1S/C16H22N2O3/c19-15(17-21)8-4-5-13-9-11-18(12-10-13)16(20)14-6-2-1-3-7-14/h1-3,6-7,13,21H,4-5,8-12H2,(H,17,19)
InChIKeySIRSPPXZWMMTQY-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.21
Rot. Bonds5

About 4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide

4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide (PubChem CID 54584126) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide.

Molecular Properties

Compound Name4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide
PubChem CID54584126
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide
SMILESO=C(CCCC1CCN(C(=O)c2ccccc2)CC1)NO
InChIInChI=1S/C16H22N2O3/c19-15(17-21)8-4-5-13-9-11-18(12-10-13)16(20)14-6-2-1-3-7-14/h1-3,6-7,13,21H,4-5,8-12H2,(H,17,19)
InChIKeySIRSPPXZWMMTQY-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.21
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 4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide?
The IUPAC name of 4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide (CID 54584126) is 4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide.
What is the SMILES notation for 4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide?
The canonical SMILES for 4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide is O=C(CCCC1CCN(C(=O)c2ccccc2)CC1)NO.
What is the InChIKey of 4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide?
The InChIKey is SIRSPPXZWMMTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(17-21)8-4-5-13-9-11-18(12-10-13)16(20)14-6-2-1-3-7-14/h1-3,6-7,13,21H,4-5,8-12H2,(H,17,19).
What are the key properties of 4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide?
4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide has a molecular weight of 290.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzoylpiperidin-4-yl)-N-hydroxybutanamide is sourced from PubChem (CID 54584126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).