cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate

C24H34N4O6 — CID 87530050

IUPACcyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESO=C(NO)[C@H]1CN(C(=O)OC2CCCCC2)CC[C@@]1(O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H34N4O6/c29-21(25-33)20-17-28(23(31)34-19-9-5-2-6-10-19)12-11-24(20,32)22(30)27-15-13-26(14-16-27)18-7-3-1-4-8-18/h1,3-4,7-8,19-20,32-33H,2,5-6,9-17H2,(H,25,29)/t20-,24+/m1/s1
InChIKeyQAFMJGWWIYGLGS-YKSBVNFPSA-N
MW474.56 g/mol
LogP1.36
Rot. Bonds4

About cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate

cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 87530050) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
PubChem CID87530050
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC Namecyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESO=C(NO)[C@H]1CN(C(=O)OC2CCCCC2)CC[C@@]1(O)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H34N4O6/c29-21(25-33)20-17-28(23(31)34-19-9-5-2-6-10-19)12-11-24(20,32)22(30)27-15-13-26(14-16-27)18-7-3-1-4-8-18/h1,3-4,7-8,19-20,32-33H,2,5-6,9-17H2,(H,25,29)/t20-,24+/m1/s1
InChIKeyQAFMJGWWIYGLGS-YKSBVNFPSA-N
XLogP1.36
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

[(4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] pyrrolidine-1-carboxylate
CID 87872042
(2S,3S,5S)-3-(hydroxycarbamoyl)-2-(4-phenylpiperazine-1-carbonyl)-5-(piperidine-1-carbonyloxy)piperidine-1-carboxylic acid
CID 87530082
(2S,3S)-3-(hydroxycarbamoyl)-2-(4-phenylpiperazine-1-carbonyl)-5-(pyrrolidine-1-carbonyloxy)piperidine-1-carboxylic acid
CID 87530277
[3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate
CID 87348642
(2S,3S,5S)-5-(4-fluorophenoxy)-3-(hydroxycarbamoyl)-2-methyl-2-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylic acid
CID 87348359
(2S,3S,5S)-5-(2-chlorophenoxy)-3-(hydroxycarbamoyl)-2-methyl-2-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylic acid
CID 87349057
[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-[1-(hydroxymethyl)cyclopentyl]carbamic acid
CID 87349007
[(4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-[1-(hydroxymethyl)cyclopentyl]carbamic acid
CID 87872067
(2S,3S,5S)-3-(hydroxycarbamoyl)-2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylic acid
CID 87348544
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 22241011
(6S,7S)-N-hydroxy-6-(4-phenylpiperazine-1-carbonyl)spiro[2.5]octane-7-carboxamide
CID 44583623
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate (CID 87530050) is cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate is O=C(NO)[C@H]1CN(C(=O)OC2CCCCC2)CC[C@@]1(O)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is QAFMJGWWIYGLGS-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H34N4O6/c29-21(25-33)20-17-28(23(31)34-19-9-5-2-6-10-19)12-11-24(20,32)22(30)27-15-13-26(14-16-27)18-7-3-1-4-8-18/h1,3-4,7-8,19-20,32-33H,2,5-6,9-17H2,(H,25,29)/t20-,24+/m1/s1.
What are the key properties of cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate?
cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (3S,4S)-4-hydroxy-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 87530050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).