(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone

C22H30F2N2O2 — CID 54389127

IUPAC(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone
SMILESCC1CC2(CCN(C(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)CN1
InChIInChI=1S/C22H30F2N2O2/c1-16-13-20(15-25-16)9-11-26(12-10-20)19(27)22(28,17-5-3-2-4-6-17)18-7-8-21(23,24)14-18/h2-6,16,18,25,28H,7-15H2,1H3/t16?,18-,22+/m1/s1
InChIKeyVFJNHQDTBIAFIK-KLKIPRAKSA-N
MW392.49 g/mol
LogP3.30
Rot. Bonds3

About (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone (PubChem CID 54389127) has the molecular formula C22H30F2N2O2 and a molecular weight of 392.49 g/mol. Its IUPAC name is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone
PubChem CID54389127
Molecular FormulaC22H30F2N2O2
Molecular Weight392.49 g/mol
Exact Mass392.23
IUPAC Name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone
SMILESCC1CC2(CCN(C(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)CN1
InChIInChI=1S/C22H30F2N2O2/c1-16-13-20(15-25-16)9-11-26(12-10-20)19(27)22(28,17-5-3-2-4-6-17)18-7-8-21(23,24)14-18/h2-6,16,18,25,28H,7-15H2,1H3/t16?,18-,22+/m1/s1
InChIKeyVFJNHQDTBIAFIK-KLKIPRAKSA-N
XLogP3.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone with MolForge

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Related Compounds

(2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride
CID 70262560
1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone
CID 23282926
(2R)-1-[4-(1-aminoethyl)piperidin-1-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
CID 54416153
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetic acid;hydrobromide
CID 69081566
(2R)-1-[4-(2-aminoethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
CID 54570002
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-(4-methylphenyl)acetic acid
CID 69075532
(1-methanimidoylpyrrolidin-3-yl) 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate
CID 22594451
trans-(1R,3R)-3-[(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetyl]oxycyclopentane-1-carboxylic acid
CID 69081714
1,4,5,6-tetrahydropyrimidin-5-yl 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate;hydrochloride
CID 22594438
(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 102016686
(3,3-dimethyl-3-azoniabicyclo[3.1.0]hexan-6-yl)methyl (2R)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate
CID 25031749
(4-hydroxypiperidin-4-yl)methyl 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate
CID 22594642

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone (CID 54389127) is (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone is CC1CC2(CCN(C(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)CN1.
What is the InChIKey of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone?
The InChIKey is VFJNHQDTBIAFIK-KLKIPRAKSA-N. The full InChI is InChI=1S/C22H30F2N2O2/c1-16-13-20(15-25-16)9-11-26(12-10-20)19(27)22(28,17-5-3-2-4-6-17)18-7-8-21(23,24)14-18/h2-6,16,18,25,28H,7-15H2,1H3/t16?,18-,22+/m1/s1.
What are the key properties of (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone?
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone has a molecular weight of 392.49 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone is sourced from PubChem (CID 54389127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).