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

C25H25N3O3 — CID 10158784

IUPAC4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H25N3O3/c29-24(26-31)21-11-13-22(14-12-21)25(30)28-17-15-27(16-18-28)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23,31H,15-18H2,(H,26,29)
InChIKeyCZOKTHLFADDUDQ-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.35
Rot. Bonds5

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

4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide (PubChem CID 10158784) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
PubChem CID10158784
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H25N3O3/c29-24(26-31)21-11-13-22(14-12-21)25(30)28-17-15-27(16-18-28)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23,31H,15-18H2,(H,26,29)
InChIKeyCZOKTHLFADDUDQ-UHFFFAOYSA-N
XLogP3.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 92769694
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2972888
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
methyl 4-[4-[(4-methylphenyl)-phenylmethyl]piperazine-1-carbonyl]benzoate
CID 46100480
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
(4-benzhydrylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 1033393
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone
CID 126069161

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide?
The IUPAC name of 4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide (CID 10158784) is 4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide.
What is the SMILES notation for 4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide?
The canonical SMILES for 4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide is O=C(NO)c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide?
The InChIKey is CZOKTHLFADDUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24(26-31)21-11-13-22(14-12-21)25(30)28-17-15-27(16-18-28)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23,31H,15-18H2,(H,26,29).
What are the key properties of 4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide?
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide has a molecular weight of 415.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide is sourced from PubChem (CID 10158784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).