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

C28H33FN2O3 — CID 129459234

IUPAC(5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESCOc1ccc(C2(C(=O)N3CCC4(CC3)CC(=O)NC[C@H]4c3cccc(F)c3)CCCC2)cc1
InChIInChI=1S/C28H33FN2O3/c1-34-23-9-7-21(8-10-23)28(11-2-3-12-28)26(33)31-15-13-27(14-16-31)18-25(32)30-19-24(27)20-5-4-6-22(29)17-20/h4-10,17,24H,2-3,11-16,18-19H2,1H3,(H,30,32)/t24-/m0/s1
InChIKeyWTBFROPRBYOZND-DEOSSOPVSA-N
MW464.58 g/mol
LogP4.56
Rot. Bonds4

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

(5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 129459234) has the molecular formula C28H33FN2O3 and a molecular weight of 464.58 g/mol. Its IUPAC name is (5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID129459234
Molecular FormulaC28H33FN2O3
Molecular Weight464.58 g/mol
Exact Mass464.25
IUPAC Name(5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESCOc1ccc(C2(C(=O)N3CCC4(CC3)CC(=O)NC[C@H]4c3cccc(F)c3)CCCC2)cc1
InChIInChI=1S/C28H33FN2O3/c1-34-23-9-7-21(8-10-23)28(11-2-3-12-28)26(33)31-15-13-27(14-16-31)18-25(32)30-19-24(27)20-5-4-6-22(29)17-20/h4-10,17,24H,2-3,11-16,18-19H2,1H3,(H,30,32)/t24-/m0/s1
InChIKeyWTBFROPRBYOZND-DEOSSOPVSA-N
XLogP4.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one (CID 129459234) is (5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one is COc1ccc(C2(C(=O)N3CCC4(CC3)CC(=O)NC[C@H]4c3cccc(F)c3)CCCC2)cc1.
What is the InChIKey of (5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is WTBFROPRBYOZND-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H33FN2O3/c1-34-23-9-7-21(8-10-23)28(11-2-3-12-28)26(33)31-15-13-27(14-16-31)18-25(32)30-19-24(27)20-5-4-6-22(29)17-20/h4-10,17,24H,2-3,11-16,18-19H2,1H3,(H,30,32)/t24-/m0/s1.
What are the key properties of (5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one?
(5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 464.58 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-fluorophenyl)-9-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 129459234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).