(6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide

C21H27F2N3O5S — CID 87234802

IUPAC(6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide
SMILESCS(=O)(=O)N1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCC(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C21H27F2N3O5S/c1-32(30,31)26-12-21(4-5-21)11-17(19(27)24-29)18(26)20(28)25-6-2-13(3-7-25)14-8-15(22)10-16(23)9-14/h8-10,13,17-18,29H,2-7,11-12H2,1H3,(H,24,27)/t17-,18-/m0/s1
InChIKeyLCDIQGQOABILMC-ROUUACIJSA-N
MW471.53 g/mol
LogP1.61
Rot. Bonds4

About (6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide

(6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 87234802) has the molecular formula C21H27F2N3O5S and a molecular weight of 471.53 g/mol. Its IUPAC name is (6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name(6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID87234802
Molecular FormulaC21H27F2N3O5S
Molecular Weight471.53 g/mol
Exact Mass471.16
IUPAC Name(6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide
SMILESCS(=O)(=O)N1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCC(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C21H27F2N3O5S/c1-32(30,31)26-12-21(4-5-21)11-17(19(27)24-29)18(26)20(28)25-6-2-13(3-7-25)14-8-15(22)10-16(23)9-14/h8-10,13,17-18,29H,2-7,11-12H2,1H3,(H,24,27)/t17-,18-/m0/s1
InChIKeyLCDIQGQOABILMC-ROUUACIJSA-N
XLogP1.61
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 51.61
H-Bond Donors ≤ 52
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-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of (6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide (CID 87234802) is (6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for (6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for (6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide is CS(=O)(=O)N1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CCC(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of (6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is LCDIQGQOABILMC-ROUUACIJSA-N. The full InChI is InChI=1S/C21H27F2N3O5S/c1-32(30,31)26-12-21(4-5-21)11-17(19(27)24-29)18(26)20(28)25-6-2-13(3-7-25)14-8-15(22)10-16(23)9-14/h8-10,13,17-18,29H,2-7,11-12H2,1H3,(H,24,27)/t17-,18-/m0/s1.
What are the key properties of (6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide?
(6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-6-[4-(3,5-difluorophenyl)piperidine-1-carbonyl]-N-hydroxy-5-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 87234802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).