(6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide

C19H25FN4O3 — CID 87234462

IUPAC(6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
SMILESO=C(NO)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H25FN4O3/c20-14-3-1-2-4-15(14)23-7-9-24(10-8-23)18(26)16-13(17(25)22-27)11-19(5-6-19)12-21-16/h1-4,13,16,21,27H,5-12H2,(H,22,25)/t13-,16-/m0/s1
InChIKeyQCUSYLYOSGYWSB-BBRMVZONSA-N
MW376.43 g/mol
LogP0.74
Rot. Bonds3

About (6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide

(6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 87234462) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is (6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name(6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID87234462
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name(6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
SMILESO=C(NO)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H25FN4O3/c20-14-3-1-2-4-15(14)23-7-9-24(10-8-23)18(26)16-13(17(25)22-27)11-19(5-6-19)12-21-16/h1-4,13,16,21,27H,5-12H2,(H,22,25)/t13-,16-/m0/s1
InChIKeyQCUSYLYOSGYWSB-BBRMVZONSA-N
XLogP0.74
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 50.74
H-Bond Donors ≤ 53
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'}

Analyze (6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[4-(3-fluoro-2-methylphenyl)piperazine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757413
6-[4-(4-cyano-2-methylphenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
CID 87234273
N-hydroxy-6-(3-phenylazetidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
CID 87234646
N-hydroxy-6-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87234655
N-hydroxy-6-(3-methyl-3-phenylpyrrolidine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
CID 87234398
6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757398
(6S,7S)-6-(3,3-dimethyl-4-phenyl-2,6-dihydropyridine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
CID 87234723
6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757401
(6S,7S)-N-hydroxy-6-[5-(methoxymethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxamide
CID 87234692
(6S,7S)-6-(3-cyclohexylpyrrolidine-1-carbonyl)-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide
CID 87234804
N-hydroxy-6-(4-thiophen-3-yl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxamide
CID 87234430
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120937671

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of (6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide (CID 87234462) is (6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for (6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for (6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide is O=C(NO)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is QCUSYLYOSGYWSB-BBRMVZONSA-N. The full InChI is InChI=1S/C19H25FN4O3/c20-14-3-1-2-4-15(14)23-7-9-24(10-8-23)18(26)16-13(17(25)22-27)11-19(5-6-19)12-21-16/h1-4,13,16,21,27H,5-12H2,(H,22,25)/t13-,16-/m0/s1.
What are the key properties of (6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide?
(6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-hydroxy-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 87234462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).