8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

C21H25FN2O2 — CID 97493952

IUPAC8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C(C1CC=CC1)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H25FN2O2/c22-18-7-3-4-16(14-18)15-24-19(25)8-9-21(24)10-12-23(13-11-21)20(26)17-5-1-2-6-17/h1-4,7,14,17H,5-6,8-13,15H2
InChIKeyKUNAVHXYBDSEBX-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.28
Rot. Bonds3

About 8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493952) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493952
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C(C1CC=CC1)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H25FN2O2/c22-18-7-3-4-16(14-18)15-24-19(25)8-9-21(24)10-12-23(13-11-21)20(26)17-5-1-2-6-17/h1-4,7,14,17H,5-6,8-13,15H2
InChIKeyKUNAVHXYBDSEBX-UHFFFAOYSA-N
XLogP3.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 97493952) is 8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is O=C(C1CC=CC1)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1.
What is the InChIKey of 8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KUNAVHXYBDSEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-18-7-3-4-16(14-18)15-24-19(25)8-9-21(24)10-12-23(13-11-21)20(26)17-5-1-2-6-17/h1-4,7,14,17H,5-6,8-13,15H2.
What are the key properties of 8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 356.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopent-3-ene-1-carbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).