5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one

C27H29FN2O2 — CID 150941837

IUPAC5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCN(C(=O)C3(c4ccccc4)CC=CC3)CC2)C(c2cccc(F)c2)CN1
InChIInChI=1S/C27H29FN2O2/c28-22-10-6-7-20(17-22)23-19-29-24(31)18-26(23)13-15-30(16-14-26)25(32)27(11-4-5-12-27)21-8-2-1-3-9-21/h1-10,17,23H,11-16,18-19H2,(H,29,31)
InChIKeyLIFIRBPKLZMOBR-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.33
Rot. Bonds3

About 5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one

5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 150941837) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID150941837
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC Name5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCN(C(=O)C3(c4ccccc4)CC=CC3)CC2)C(c2cccc(F)c2)CN1
InChIInChI=1S/C27H29FN2O2/c28-22-10-6-7-20(17-22)23-19-29-24(31)18-26(23)13-15-30(16-14-26)25(32)27(11-4-5-12-27)21-8-2-1-3-9-21/h1-10,17,23H,11-16,18-19H2,(H,29,31)
InChIKeyLIFIRBPKLZMOBR-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 132772424
5-(3,4-difluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150822138
(5S)-9-(4-benzyloxane-4-carbonyl)-5-(3-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 129457761
(5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
CID 151941208
(5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150878766
(5R)-5-phenyl-9-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150878767
(1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 151183103
(4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one
CID 110148310
(5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150087990
(5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
CID 129458903
(5R)-5-(3,4-difluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150207897
(5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
CID 151304861

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one (CID 150941837) is 5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one is O=C1CC2(CCN(C(=O)C3(c4ccccc4)CC=CC3)CC2)C(c2cccc(F)c2)CN1.
What is the InChIKey of 5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is LIFIRBPKLZMOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2/c28-22-10-6-7-20(17-22)23-19-29-24(31)18-26(23)13-15-30(16-14-26)25(32)27(11-4-5-12-27)21-8-2-1-3-9-21/h1-10,17,23H,11-16,18-19H2,(H,29,31).
What are the key properties of 5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one?
5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 432.54 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 150941837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).