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

C20H25F2NO3 — CID 54282417

IUPAC(2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
SMILESCC(=O)C1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(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/t17-,20+/m1/s1
InChIKeyRRSFJMMHCVXHNP-XLIONFOSSA-N
MW365.42 g/mol
LogP3.14
Rot. Bonds4

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

(2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone (PubChem CID 54282417) has the molecular formula C20H25F2NO3 and a molecular weight of 365.42 g/mol. Its IUPAC name is (2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
PubChem CID54282417
Molecular FormulaC20H25F2NO3
Molecular Weight365.42 g/mol
Exact Mass365.18
IUPAC Name(2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
SMILESCC(=O)C1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(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/t17-,20+/m1/s1
InChIKeyRRSFJMMHCVXHNP-XLIONFOSSA-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

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Related Compounds

(R)-1-(4-Aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
CID 15888011
(R)-1-[4-(2-Amino-ethyl)-4-ethyl-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44309231
(R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 9799291
(2R)-2-cyclopentyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)-4-piperidinyl]-2-phenylacetamide
CID 9821459
2-(3,3-Difluoro-cyclopentyl)-N-[1-(3-fluoro-benzyl)-piperidin-4-yl]-2-hydroxy-2-phenyl-acetamide
CID 10551354
2-(3-Fluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-pent-3-enyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10597259
N-(1-Cyclooctylmethyl-piperidin-4-yl)-2-cyclopentyl-2-hydroxy-2-phenyl-acetamide
CID 10598540
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-pent-3-enyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10622033
N-(1-Cycloheptylmethyl-piperidin-4-yl)-2-(3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 10671167
(2R)-2-[(1S,3R)-3-fluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
CID 10716120
N-(1-Cyclohexylmethyl-piperidin-4-yl)-2-cyclopentyl-2-hydroxy-2-phenyl-acetamide
CID 10739662
2-Cyclopentyl-N-(1-cyclopentylmethyl-piperidin-4-yl)-2-hydroxy-2-phenyl-acetamide
CID 10810094

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone?
The IUPAC name of (2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone (CID 54282417) is (2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for (2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone is CC(=O)C1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1.
What is the InChIKey of (2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone?
The InChIKey is RRSFJMMHCVXHNP-XLIONFOSSA-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/t17-,20+/m1/s1.
What are the key properties of (2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone?
(2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-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 (2R)-1-(4-acetylpiperidin-1-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 54282417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).