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

C26H29FN2O2 — CID 110148310

IUPAC(4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)C3(c4ccccc4)CCCC3)C[C@H]2c2cccc(F)c2)N1
InChIInChI=1S/C26H29FN2O2/c27-21-11-6-8-19(16-21)22-17-29(18-26(22)15-7-12-23(30)28-26)24(31)25(13-4-5-14-25)20-9-2-1-3-10-20/h1-3,6,8-11,16,22H,4-5,7,12-15,17-18H2,(H,28,30)/t22-,26+/m0/s1
InChIKeyGQZHDZWHJLALLS-BKMJKUGQSA-N
MW420.53 g/mol
LogP4.30
Rot. Bonds3

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

(4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 110148310) has the molecular formula C26H29FN2O2 and a molecular weight of 420.53 g/mol. Its IUPAC name is (4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one
PubChem CID110148310
Molecular FormulaC26H29FN2O2
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC Name(4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)C3(c4ccccc4)CCCC3)C[C@H]2c2cccc(F)c2)N1
InChIInChI=1S/C26H29FN2O2/c27-21-11-6-8-19(16-21)22-17-29(18-26(22)15-7-12-23(30)28-26)24(31)25(13-4-5-14-25)20-9-2-1-3-10-20/h1-3,6,8-11,16,22H,4-5,7,12-15,17-18H2,(H,28,30)/t22-,26+/m0/s1
InChIKeyGQZHDZWHJLALLS-BKMJKUGQSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-4-(4-fluorophenyl)-2-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2,6-diazaspiro[4.5]decan-7-one
CID 110148318
(4R,5S)-2-[1-(4-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one
CID 110148550
(4R,5S)-4-(3-fluorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)benzoyl]-2,6-diazaspiro[4.6]undecan-7-one
CID 155984302
(4R,5S)-2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]-4-(3-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
CID 110150884
(4R,5S)-4-(3-fluorophenyl)-2-(2-phenoxyethylsulfonyl)-2,6-diazaspiro[4.5]decan-7-one
CID 92575401
(4R,5S)-2-(cyclopropanecarbonyl)-4-(3,4-difluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
CID 92568241
(4R,5S)-2-[(3-fluorophenyl)methylsulfonyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 110129768
(4R,5S)-2-[2-(2-fluorophenoxy)pyridine-4-carbonyl]-4-phenyl-2,6-diazaspiro[4.6]undecan-7-one
CID 129458876
(4R,5S)-2-[1-(2-fluorophenyl)cyclopentanecarbonyl]-4-(2-methoxyphenyl)-2,6-diazaspiro[4.6]undecan-7-one
CID 110148544
(4R,5S)-6-methyl-4-phenyl-2-(1-phenylcyclohexanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one
CID 110148718
(5S)-7-(1-phenylcyclopentanecarbonyl)-1,7-diazaspiro[4.4]nonan-2-one
CID 164635054
5-(3-fluorophenyl)-9-(1-phenylcyclopent-3-ene-1-carbonyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150941837

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one (CID 110148310) is (4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(C(=O)C3(c4ccccc4)CCCC3)C[C@H]2c2cccc(F)c2)N1.
What is the InChIKey of (4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is GQZHDZWHJLALLS-BKMJKUGQSA-N. The full InChI is InChI=1S/C26H29FN2O2/c27-21-11-6-8-19(16-21)22-17-29(18-26(22)15-7-12-23(30)28-26)24(31)25(13-4-5-14-25)20-9-2-1-3-10-20/h1-3,6,8-11,16,22H,4-5,7,12-15,17-18H2,(H,28,30)/t22-,26+/m0/s1.
What are the key properties of (4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 420.53 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(3-fluorophenyl)-2-(1-phenylcyclopentanecarbonyl)-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 110148310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).