5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one

C27H31FN2O2 — CID 132772424

IUPAC5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)C(c2ccc(F)cc2)CN1
InChIInChI=1S/C27H31FN2O2/c28-22-10-8-20(9-11-22)23-19-29-24(31)18-26(23)14-16-30(17-15-26)25(32)27(12-4-5-13-27)21-6-2-1-3-7-21/h1-3,6-11,23H,4-5,12-19H2,(H,29,31)
InChIKeyORTOONFQPOUPHF-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.55
Rot. Bonds3

About 5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one

5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 132772424) has the molecular formula C27H31FN2O2 and a molecular weight of 434.56 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID132772424
Molecular FormulaC27H31FN2O2
Molecular Weight434.56 g/mol
Exact Mass434.24
IUPAC Name5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)C(c2ccc(F)cc2)CN1
InChIInChI=1S/C27H31FN2O2/c28-22-10-8-20(9-11-22)23-19-29-24(31)18-26(23)14-16-30(17-15-26)25(32)27(12-4-5-13-27)21-6-2-1-3-7-21/h1-3,6-11,23H,4-5,12-19H2,(H,29,31)
InChIKeyORTOONFQPOUPHF-UHFFFAOYSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one (CID 132772424) is 5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one is O=C1CC2(CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)C(c2ccc(F)cc2)CN1.
What is the InChIKey of 5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is ORTOONFQPOUPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O2/c28-22-10-8-20(9-11-22)23-19-29-24(31)18-26(23)14-16-30(17-15-26)25(32)27(12-4-5-13-27)21-6-2-1-3-7-21/h1-3,6-11,23H,4-5,12-19H2,(H,29,31).
What are the key properties of 5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one?
5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 434.56 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 132772424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).