2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone

C18H23F2NO3 — CID 75503659

IUPAC2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCC(OCC2CCOC2)CC1
InChIInChI=1S/C18H23F2NO3/c19-16-2-1-13(9-17(16)20)10-18(22)21-6-3-15(4-7-21)24-12-14-5-8-23-11-14/h1-2,9,14-15H,3-8,10-12H2
InChIKeyQXWJUDCJPWMCMB-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.55
Rot. Bonds5

About 2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone

2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 75503659) has the molecular formula C18H23F2NO3 and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID75503659
Molecular FormulaC18H23F2NO3
Molecular Weight339.38 g/mol
Exact Mass339.16
IUPAC Name2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCC(OCC2CCOC2)CC1
InChIInChI=1S/C18H23F2NO3/c19-16-2-1-13(9-17(16)20)10-18(22)21-6-3-15(4-7-21)24-12-14-5-8-23-11-14/h1-2,9,14-15H,3-8,10-12H2
InChIKeyQXWJUDCJPWMCMB-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone
CID 99782856
2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
CID 11198440
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121197382
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 124517329
[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone
CID 86788515
[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 129358042
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 119105495
indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone
CID 75477133
2-(4-fluorophenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124792285
(3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone
CID 100703567

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone (CID 75503659) is 2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone is O=C(Cc1ccc(F)c(F)c1)N1CCC(OCC2CCOC2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is QXWJUDCJPWMCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2NO3/c19-16-2-1-13(9-17(16)20)10-18(22)21-6-3-15(4-7-21)24-12-14-5-8-23-11-14/h1-2,9,14-15H,3-8,10-12H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone?
2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 339.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 75503659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).