2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone

C25H29F2NO2 — CID 173150593

IUPAC2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESCc1ccc(F)cc1C1(F)CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C25H29F2NO2/c1-18-11-12-21(26)17-22(18)24(27)13-15-28(16-14-24)23(29)25(30,20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,11-12,17,20,30H,5-6,9-10,13-16H2,1H3
InChIKeyVLPKEPALICFWLC-UHFFFAOYSA-N
MW413.51 g/mol
LogP5.00
Rot. Bonds4

About 2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone

2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone (PubChem CID 173150593) has the molecular formula C25H29F2NO2 and a molecular weight of 413.51 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
PubChem CID173150593
Molecular FormulaC25H29F2NO2
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC Name2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESCc1ccc(F)cc1C1(F)CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C25H29F2NO2/c1-18-11-12-21(26)17-22(18)24(27)13-15-28(16-14-24)23(29)25(30,20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,11-12,17,20,30H,5-6,9-10,13-16H2,1H3
InChIKeyVLPKEPALICFWLC-UHFFFAOYSA-N
XLogP5.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone with MolForge

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Related Compounds

CID 49861348
CID 49861348
Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-
CID 11328898
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(3-methyl-benzyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10503358
(R)-1-(4-Aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
CID 15888011
AE9C90CB
CID 9862598
(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
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of 2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone (CID 173150593) is 2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone is Cc1ccc(F)cc1C1(F)CCN(C(=O)C(O)(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is VLPKEPALICFWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2NO2/c1-18-11-12-21(26)17-22(18)24(27)13-15-28(16-14-24)23(29)25(30,20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,11-12,17,20,30H,5-6,9-10,13-16H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 413.51 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-fluoro-4-(5-fluoro-2-methylphenyl)piperidin-1-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 173150593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).