(4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one

C28H33FN2O3 — CID 110148550

IUPAC(4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one
SMILESCOc1ccccc1[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)C[C@]12CCCCC(=O)N2
InChIInChI=1S/C28H33FN2O3/c1-34-24-9-3-2-8-22(24)23-18-31(19-28(23)17-5-4-10-25(32)30-28)26(33)27(15-6-7-16-27)20-11-13-21(29)14-12-20/h2-3,8-9,11-14,23H,4-7,10,15-19H2,1H3,(H,30,32)/t23-,28+/m0/s1
InChIKeyCYUWGKLAGHJMAD-NEKDWFFYSA-N
MW464.58 g/mol
LogP4.70
Rot. Bonds4

About (4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one

(4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one (PubChem CID 110148550) has the molecular formula C28H33FN2O3 and a molecular weight of 464.58 g/mol. Its IUPAC name is (4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one
PubChem CID110148550
Molecular FormulaC28H33FN2O3
Molecular Weight464.58 g/mol
Exact Mass464.25
IUPAC Name(4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one
SMILESCOc1ccccc1[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)C[C@]12CCCCC(=O)N2
InChIInChI=1S/C28H33FN2O3/c1-34-24-9-3-2-8-22(24)23-18-31(19-28(23)17-5-4-10-25(32)30-28)26(33)27(15-6-7-16-27)20-11-13-21(29)14-12-20/h2-3,8-9,11-14,23H,4-7,10,15-19H2,1H3,(H,30,32)/t23-,28+/m0/s1
InChIKeyCYUWGKLAGHJMAD-NEKDWFFYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one 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 (4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one?
The IUPAC name of (4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one (CID 110148550) is (4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for (4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for (4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one is COc1ccccc1[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)C[C@]12CCCCC(=O)N2.
What is the InChIKey of (4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one?
The InChIKey is CYUWGKLAGHJMAD-NEKDWFFYSA-N. The full InChI is InChI=1S/C28H33FN2O3/c1-34-24-9-3-2-8-22(24)23-18-31(19-28(23)17-5-4-10-25(32)30-28)26(33)27(15-6-7-16-27)20-11-13-21(29)14-12-20/h2-3,8-9,11-14,23H,4-7,10,15-19H2,1H3,(H,30,32)/t23-,28+/m0/s1.
What are the key properties of (4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one?
(4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one has a molecular weight of 464.58 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 110148550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).