1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone

C22H23F2NO3 — CID 112836293

IUPAC1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H23F2NO3/c23-17-5-7-21(20(24)13-17)28-18-8-10-25(11-9-18)22(26)14-27-19-6-4-15-2-1-3-16(15)12-19/h4-7,12-13,18H,1-3,8-11,14H2
InChIKeyKIJMLOPTCKJAGL-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.90
Rot. Bonds5

About 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone

1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone (PubChem CID 112836293) has the molecular formula C22H23F2NO3 and a molecular weight of 387.43 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
PubChem CID112836293
Molecular FormulaC22H23F2NO3
Molecular Weight387.43 g/mol
Exact Mass387.16
IUPAC Name1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C22H23F2NO3/c23-17-5-7-21(20(24)13-17)28-18-8-10-25(11-9-18)22(26)14-27-19-6-4-15-2-1-3-16(15)12-19/h4-7,12-13,18H,1-3,8-11,14H2
InChIKeyKIJMLOPTCKJAGL-UHFFFAOYSA-N
XLogP3.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone with MolForge

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Related Compounds

1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 112836578
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]piperidine-4-carboxamide
CID 56923124
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746603
1-(4-benzoylpiperidin-1-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 26079809
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390762
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488
2-(4-chloro-3-methoxyphenoxy)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 90941147
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124698879
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride
CID 119662482
N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide
CID 9370672
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-naphthalen-1-yloxybutan-1-one
CID 112836286

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone?
The IUPAC name of 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone (CID 112836293) is 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone.
What is the SMILES notation for 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone?
The canonical SMILES for 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone is O=C(COc1ccc2c(c1)CCC2)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone?
The InChIKey is KIJMLOPTCKJAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO3/c23-17-5-7-21(20(24)13-17)28-18-8-10-25(11-9-18)22(26)14-27-19-6-4-15-2-1-3-16(15)12-19/h4-7,12-13,18H,1-3,8-11,14H2.
What are the key properties of 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone?
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone has a molecular weight of 387.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone is sourced from PubChem (CID 112836293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).