5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C24H28ClN3O4 — CID 91507292

IUPAC5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(NO)C1CC(Oc2cccc(Cl)c2)CCC1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H28ClN3O4/c25-17-5-4-8-19(15-17)32-20-9-10-21(22(16-20)23(29)26-31)24(30)28-13-11-27(12-14-28)18-6-2-1-3-7-18/h1-8,15,20-22,31H,9-14,16H2,(H,26,29)
InChIKeyJIUGAWKJUAFMQF-UHFFFAOYSA-N
MW457.96 g/mol
LogP3.36
Rot. Bonds5

About 5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 91507292) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID91507292
Molecular FormulaC24H28ClN3O4
Molecular Weight457.96 g/mol
Exact Mass457.18
IUPAC Name5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(NO)C1CC(Oc2cccc(Cl)c2)CCC1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H28ClN3O4/c25-17-5-4-8-19(15-17)32-20-9-10-21(22(16-20)23(29)26-31)24(30)28-13-11-27(12-14-28)18-6-2-1-3-7-18/h1-8,15,20-22,31H,9-14,16H2,(H,26,29)
InChIKeyJIUGAWKJUAFMQF-UHFFFAOYSA-N
XLogP3.36
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl (2S,3S,5S)-5-(3-chlorophenoxy)-3-(hydroxycarbamoyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 87348365
(1R,2R,5R)-N-hydroxy-5-[(6-methyl-3-pyridinyl)oxy]-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 87530021
trans-(1S,2S)-N-hydroxy-5-[(6-methyl-3-pyridinyl)oxy]-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 87530020
(1S,2S,5R)-N-hydroxy-5-[(6-methyl-3-pyridinyl)oxy]-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 87349374
(1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide
CID 87349458
[(4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] pyrrolidine-1-carboxylate
CID 87872042
[(1S,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate
CID 87348490
[3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate
CID 87348642
methyl 4-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]oxypiperidine-1-carboxylate
CID 87348641
5-(3-fluorophenoxy)-N-hydroxy-1-methyl-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 87869880
(2S,3S,5S)-N-hydroxy-5-(3-methoxyphenoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 87348189
(2S,3S,5S)-5-(3-chloro-4-fluorophenoxy)-3-(hydroxycarbamoyl)-2-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylic acid
CID 87530356

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of 5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 91507292) is 5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for 5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is O=C(NO)C1CC(Oc2cccc(Cl)c2)CCC1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is JIUGAWKJUAFMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4/c25-17-5-4-8-19(15-17)32-20-9-10-21(22(16-20)23(29)26-31)24(30)28-13-11-27(12-14-28)18-6-2-1-3-7-18/h1-8,15,20-22,31H,9-14,16H2,(H,26,29).
What are the key properties of 5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91507292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).