[3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate

C24H34N4O5 — CID 87348642

IUPAC[3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate
SMILESO=C(NC1CCCC1)OC1CCC(C(=O)N2CCN(c3ccccc3)CC2)C(C(=O)NO)C1
InChIInChI=1S/C24H34N4O5/c29-22(26-32)21-16-19(33-24(31)25-17-6-4-5-7-17)10-11-20(21)23(30)28-14-12-27(13-15-28)18-8-2-1-3-9-18/h1-3,8-9,17,19-21,32H,4-7,10-16H2,(H,25,31)(H,26,29)
InChIKeyRVJNSCREDHWRDN-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.29
Rot. Bonds5

About [3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate

[3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate (PubChem CID 87348642) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is [3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate.

Molecular Properties

Compound Name[3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate
PubChem CID87348642
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Name[3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate
SMILESO=C(NC1CCCC1)OC1CCC(C(=O)N2CCN(c3ccccc3)CC2)C(C(=O)NO)C1
InChIInChI=1S/C24H34N4O5/c29-22(26-32)21-16-19(33-24(31)25-17-6-4-5-7-17)10-11-20(21)23(30)28-14-12-27(13-15-28)18-8-2-1-3-9-18/h1-3,8-9,17,19-21,32H,4-7,10-16H2,(H,25,31)(H,26,29)
InChIKeyRVJNSCREDHWRDN-UHFFFAOYSA-N
XLogP2.29
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 [3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate?
The IUPAC name of [3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate (CID 87348642) is [3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate.
What is the SMILES notation for [3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate?
The canonical SMILES for [3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate is O=C(NC1CCCC1)OC1CCC(C(=O)N2CCN(c3ccccc3)CC2)C(C(=O)NO)C1.
What is the InChIKey of [3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate?
The InChIKey is RVJNSCREDHWRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5/c29-22(26-32)21-16-19(33-24(31)25-17-6-4-5-7-17)10-11-20(21)23(30)28-14-12-27(13-15-28)18-8-2-1-3-9-18/h1-3,8-9,17,19-21,32H,4-7,10-16H2,(H,25,31)(H,26,29).
What are the key properties of [3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate?
[3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate has a molecular weight of 458.56 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate is sourced from PubChem (CID 87348642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).