(1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide

C23H28N4O4 — CID 87349458

IUPAC(1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](Oc2ccccn2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O4/c28-22(25-30)20-16-18(31-21-8-4-5-11-24-21)9-10-19(20)23(29)27-14-12-26(13-15-27)17-6-2-1-3-7-17/h1-8,11,18-20,30H,9-10,12-16H2,(H,25,28)/t18-,19+,20+/m1/s1
InChIKeyRSZYJTZUEQUELX-AABGKKOBSA-N
MW424.50 g/mol
LogP2.10
Rot. Bonds5

About (1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide

(1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide (PubChem CID 87349458) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is (1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide
PubChem CID87349458
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name(1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide
SMILESO=C(NO)[C@H]1C[C@H](Oc2ccccn2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H28N4O4/c28-22(25-30)20-16-18(31-21-8-4-5-11-24-21)9-10-19(20)23(29)27-14-12-26(13-15-27)17-6-2-1-3-7-17/h1-8,11,18-20,30H,9-10,12-16H2,(H,25,28)/t18-,19+,20+/m1/s1
InChIKeyRSZYJTZUEQUELX-AABGKKOBSA-N
XLogP2.10
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.10
H-Bond Donors ≤ 52
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,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
5-(3-chlorophenoxy)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 91507292
[(1S,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate
CID 87348490
[(4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] pyrrolidine-1-carboxylate
CID 87872042
[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
[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] 2,3-dihydroindole-1-carboxylate
CID 87348446
(1S,2S,5R)-5-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 87348210
(2S,3S,5S)-3-(hydroxycarbamoyl)-5-[(4-methyl-2-pyridinyl)oxy]-2-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylic acid
CID 87530114
(2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide
CID 87348918

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide?
The IUPAC name of (1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide (CID 87349458) is (1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide?
The canonical SMILES for (1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide is O=C(NO)[C@H]1C[C@H](Oc2ccccn2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide?
The InChIKey is RSZYJTZUEQUELX-AABGKKOBSA-N. The full InChI is InChI=1S/C23H28N4O4/c28-22(25-30)20-16-18(31-21-8-4-5-11-24-21)9-10-19(20)23(29)27-14-12-26(13-15-27)17-6-2-1-3-7-17/h1-8,11,18-20,30H,9-10,12-16H2,(H,25,28)/t18-,19+,20+/m1/s1.
What are the key properties of (1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide?
(1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-N-hydroxy-2-(4-phenylpiperazine-1-carbonyl)-5-pyridin-2-yloxycyclohexane-1-carboxamide is sourced from PubChem (CID 87349458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).