4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide

C20H22N2O3 — CID 11393593

IUPAC4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3/c23-19(21-25)17-6-8-18(9-7-17)20(24)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,25H,10-14H2,(H,21,23)
InChIKeySUCBHHHTLXVRJH-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.90
Rot. Bonds4

About 4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide

4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide (PubChem CID 11393593) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide
PubChem CID11393593
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H22N2O3/c23-19(21-25)17-6-8-18(9-7-17)20(24)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,25H,10-14H2,(H,21,23)
InChIKeySUCBHHHTLXVRJH-UHFFFAOYSA-N
XLogP2.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.90
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-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide?
The IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide (CID 11393593) is 4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide.
What is the SMILES notation for 4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide?
The canonical SMILES for 4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide is O=C(NO)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide?
The InChIKey is SUCBHHHTLXVRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(21-25)17-6-8-18(9-7-17)20(24)22-12-10-16(11-13-22)14-15-4-2-1-3-5-15/h1-9,16,25H,10-14H2,(H,21,23).
What are the key properties of 4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide?
4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide has a molecular weight of 338.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidine-1-carbonyl)-N-hydroxybenzamide is sourced from PubChem (CID 11393593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).