(2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C24H34N4O6 — CID 87348583

IUPAC(2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(NO)[C@H]1C[C@H]([C@@]2(CO)CCCN2C(=O)O)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H34N4O6/c29-16-24(9-4-10-28(24)23(32)33)17-7-8-19(20(15-17)21(30)25-34)22(31)27-13-11-26(12-14-27)18-5-2-1-3-6-18/h1-3,5-6,17,19-20,29,34H,4,7-16H2,(H,25,30)(H,32,33)/t17-,19+,20+,24+/m1/s1
InChIKeyKFYQYNBXFZAMGI-QHYAIYAISA-N
MW474.56 g/mol
LogP1.38
Rot. Bonds5

About (2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

(2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 87348583) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is (2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID87348583
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC Name(2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(NO)[C@H]1C[C@H]([C@@]2(CO)CCCN2C(=O)O)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H34N4O6/c29-16-24(9-4-10-28(24)23(32)33)17-7-8-19(20(15-17)21(30)25-34)22(31)27-13-11-26(12-14-27)18-5-2-1-3-6-18/h1-3,5-6,17,19-20,29,34H,4,7-16H2,(H,25,30)(H,32,33)/t17-,19+,20+,24+/m1/s1
InChIKeyKFYQYNBXFZAMGI-QHYAIYAISA-N
XLogP1.38
TPSA133.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 51.38
H-Bond Donors ≤ 54
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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Related Compounds

[(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
(6S,7S)-N-hydroxy-6-(4-phenylpiperazine-1-carbonyl)spiro[2.5]octane-7-carboxamide
CID 44583623
[(4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] pyrrolidine-1-carboxylate
CID 87872042
(1S,2S,5S)-N,5-dihydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-prop-2-enylcyclohexane-1-carboxamide
CID 87348158
(1S,2S,5R)-5-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 87348210
[(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
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500
(2S,3S)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-3-carboxamide
CID 141117001
methyl 4-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]oxypiperidine-1-carboxylate
CID 87348641
(1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide
CID 87349458

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 87348583) is (2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is O=C(NO)[C@H]1C[C@H]([C@@]2(CO)CCCN2C(=O)O)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is KFYQYNBXFZAMGI-QHYAIYAISA-N. The full InChI is InChI=1S/C24H34N4O6/c29-16-24(9-4-10-28(24)23(32)33)17-7-8-19(20(15-17)21(30)25-34)22(31)27-13-11-26(12-14-27)18-5-2-1-3-6-18/h1-3,5-6,17,19-20,29,34H,4,7-16H2,(H,25,30)(H,32,33)/t17-,19+,20+,24+/m1/s1.
What are the key properties of (2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
(2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 474.56 g/mol, XLogP of 1.38, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 87348583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).