1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone

C20H25F2NO3 — CID 23282926

IUPAC1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone
SMILESCC(=O)C1CCN(C(=O)C(O)(c2ccccc2)C2CCC(F)(F)C2)CC1
InChIInChI=1S/C20H25F2NO3/c1-14(24)15-8-11-23(12-9-15)18(25)20(26,16-5-3-2-4-6-16)17-7-10-19(21,22)13-17/h2-6,15,17,26H,7-13H2,1H3
InChIKeyRRSFJMMHCVXHNP-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.14
Rot. Bonds4

About 1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone

1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone (PubChem CID 23282926) has the molecular formula C20H25F2NO3 and a molecular weight of 365.42 g/mol. Its IUPAC name is 1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone
PubChem CID23282926
Molecular FormulaC20H25F2NO3
Molecular Weight365.42 g/mol
Exact Mass365.18
IUPAC Name1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone
SMILESCC(=O)C1CCN(C(=O)C(O)(c2ccccc2)C2CCC(F)(F)C2)CC1
InChIInChI=1S/C20H25F2NO3/c1-14(24)15-8-11-23(12-9-15)18(25)20(26,16-5-3-2-4-6-16)17-7-10-19(21,22)13-17/h2-6,15,17,26H,7-13H2,1H3
InChIKeyRRSFJMMHCVXHNP-UHFFFAOYSA-N
XLogP3.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-(1-aminoethyl)piperidin-1-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
CID 54416153
(2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride
CID 70262560
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-1-(3-methyl-2,8-diazaspiro[4.5]decan-8-yl)-2-phenylethanone
CID 54389127
(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
trans-(1R,3R)-3-[(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetyl]oxycyclopentane-1-carboxylic acid
CID 69081714
(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 102016686
4-aminobutyl 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate
CID 22594500
(2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate
CID 152760791
(1-methanimidoylpyrrolidin-3-yl) 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate
CID 22594451
3-(3-butyl-2-methyl-2H-imidazol-1-yl)propyl (2R)-2-[(1S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetate
CID 25003266

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone (CID 23282926) is 1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone is CC(=O)C1CCN(C(=O)C(O)(c2ccccc2)C2CCC(F)(F)C2)CC1.
What is the InChIKey of 1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone?
The InChIKey is RRSFJMMHCVXHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO3/c1-14(24)15-8-11-23(12-9-15)18(25)20(26,16-5-3-2-4-6-16)17-7-10-19(21,22)13-17/h2-6,15,17,26H,7-13H2,1H3.
What are the key properties of 1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone?
1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone has a molecular weight of 365.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 23282926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).