(4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one

C26H28F2N2O2 — CID 110148318

IUPAC(4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)C3(c4cccc(F)c4)CCCC3)C[C@H]2c2ccc(F)cc2)N1
InChIInChI=1S/C26H28F2N2O2/c27-20-10-8-18(9-11-20)22-16-30(17-26(22)14-4-7-23(31)29-26)24(32)25(12-1-2-13-25)19-5-3-6-21(28)15-19/h3,5-6,8-11,15,22H,1-2,4,7,12-14,16-17H2,(H,29,31)/t22-,26+/m0/s1
InChIKeyTUNOLGBGEVQHNI-BKMJKUGQSA-N
MW438.52 g/mol
LogP4.44
Rot. Bonds3

About (4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 110148318) has the molecular formula C26H28F2N2O2 and a molecular weight of 438.52 g/mol. Its IUPAC name is (4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one
PubChem CID110148318
Molecular FormulaC26H28F2N2O2
Molecular Weight438.52 g/mol
Exact Mass438.21
IUPAC Name(4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)C3(c4cccc(F)c4)CCCC3)C[C@H]2c2ccc(F)cc2)N1
InChIInChI=1S/C26H28F2N2O2/c27-20-10-8-18(9-11-20)22-16-30(17-26(22)14-4-7-23(31)29-26)24(32)25(12-1-2-13-25)19-5-3-6-21(28)15-19/h3,5-6,8-11,15,22H,1-2,4,7,12-14,16-17H2,(H,29,31)/t22-,26+/m0/s1
InChIKeyTUNOLGBGEVQHNI-BKMJKUGQSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one
CID 110148310
(4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one
CID 110148550
(4R,5S)-4-(4-fluorophenyl)-2-[3-(pyrimidin-2-ylamino)benzoyl]-2,6-diazaspiro[4.5]decan-7-one
CID 110151655
(4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
CID 92568241
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
(4R,5S)-4-(3-fluorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)benzoyl]-2,6-diazaspiro[4.6]undecan-7-one
CID 155984302
(4R,5S)-2-[1-(2-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one
CID 110148544
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 120659893
N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 55599636
(4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 110129768
[1-(3-fluorophenyl)cyclobutyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576490
(4R,5S)-2-[2-(2-fluorophenoxy)pyridine-4-carbonyl]-4-phenyl-2,6-diazaspiro[4.6]undecan-7-one
CID 129458876

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one (CID 110148318) is (4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(C(=O)C3(c4cccc(F)c4)CCCC3)C[C@H]2c2ccc(F)cc2)N1.
What is the InChIKey of (4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is TUNOLGBGEVQHNI-BKMJKUGQSA-N. The full InChI is InChI=1S/C26H28F2N2O2/c27-20-10-8-18(9-11-20)22-16-30(17-26(22)14-4-7-23(31)29-26)24(32)25(12-1-2-13-25)19-5-3-6-21(28)15-19/h3,5-6,8-11,15,22H,1-2,4,7,12-14,16-17H2,(H,29,31)/t22-,26+/m0/s1.
What are the key properties of (4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 438.52 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 110148318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).