(3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C22H25FN2O2 — CID 175660906

IUPAC(3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccc(F)cc2)[C@H]([C@H](O)c2ccccc2)CC12CCNCC2
InChIInChI=1S/C22H25FN2O2/c23-18-8-6-16(7-9-18)15-25-19(20(26)17-4-2-1-3-5-17)14-22(21(25)27)10-12-24-13-11-22/h1-9,19-20,24,26H,10-15H2/t19-,20+/m0/s1
InChIKeyUBZSIWMNYFKAMF-VQTJNVASSA-N
MW368.45 g/mol
LogP3.03
Rot. Bonds4

About (3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

(3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 175660906) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID175660906
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccc(F)cc2)[C@H]([C@H](O)c2ccccc2)CC12CCNCC2
InChIInChI=1S/C22H25FN2O2/c23-18-8-6-16(7-9-18)15-25-19(20(26)17-4-2-1-3-5-17)14-22(21(25)27)10-12-24-13-11-22/h1-9,19-20,24,26H,10-15H2/t19-,20+/m0/s1
InChIKeyUBZSIWMNYFKAMF-VQTJNVASSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-2-benzyl-8-[(3-fluoro-2-pyridinyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 155988631
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 175662858
(3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
CID 110148251
3-[(4-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 110082482
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one
CID 101435027
3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 75356044
7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073480
1-benzyl-3-(4-fluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 45031889
(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 51982059

Frequently Asked Questions

What is the IUPAC name of (3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 175660906) is (3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(Cc2ccc(F)cc2)[C@H]([C@H](O)c2ccccc2)CC12CCNCC2.
What is the InChIKey of (3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UBZSIWMNYFKAMF-VQTJNVASSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-18-8-6-16(7-9-18)15-25-19(20(26)17-4-2-1-3-5-17)14-22(21(25)27)10-12-24-13-11-22/h1-9,19-20,24,26H,10-15H2/t19-,20+/m0/s1.
What are the key properties of (3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
(3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 368.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[(4-fluorophenyl)methyl]-3-[(R)-hydroxy(phenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 175660906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).