1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone

C27H29F2NO5 — CID 10345280

IUPAC1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone
SMILESO=C(CC1Cc2cc(F)ccc2C12OCCO2)N1CCC(C2(c3ccc(F)cc3)OCCO2)CC1
InChIInChI=1S/C27H29F2NO5/c28-22-3-1-19(2-4-22)26(32-11-12-33-26)20-7-9-30(10-8-20)25(31)17-21-15-18-16-23(29)5-6-24(18)27(21)34-13-14-35-27/h1-6,16,20-21H,7-15,17H2
InChIKeyJAUVEACYAFZGEQ-UHFFFAOYSA-N
MW485.53 g/mol
LogP3.87
Rot. Bonds4

About 1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone

1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone (PubChem CID 10345280) has the molecular formula C27H29F2NO5 and a molecular weight of 485.53 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone
PubChem CID10345280
Molecular FormulaC27H29F2NO5
Molecular Weight485.53 g/mol
Exact Mass485.20
IUPAC Name1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone
SMILESO=C(CC1Cc2cc(F)ccc2C12OCCO2)N1CCC(C2(c3ccc(F)cc3)OCCO2)CC1
InChIInChI=1S/C27H29F2NO5/c28-22-3-1-19(2-4-22)26(32-11-12-33-26)20-7-9-30(10-8-20)25(31)17-21-15-18-16-23(29)5-6-24(18)27(21)34-13-14-35-27/h1-6,16,20-21H,7-15,17H2
InChIKeyJAUVEACYAFZGEQ-UHFFFAOYSA-N
XLogP3.87
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone with MolForge

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Related Compounds

1-[4-[2-(4-bromophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 11101606
ethyl 4-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(hydroxymethylidene)butanoate
CID 67837872
5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one
CID 138036855
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110853314
(1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol
CID 67939505
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-spiro[1,3-dioxolane-2,4'-6,7-dihydro-5H-1-benzothiophene]-5'-ylethanone
CID 10502664
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 134230783
tert-butyl 4-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 86852948
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119827516
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110853309
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-[(3R)-6-fluoro-1-hydroxy-3-methyl-3,4-dihydroisochromen-1-yl]acetic acid
CID 174262481

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone (CID 10345280) is 1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone is O=C(CC1Cc2cc(F)ccc2C12OCCO2)N1CCC(C2(c3ccc(F)cc3)OCCO2)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone?
The InChIKey is JAUVEACYAFZGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2NO5/c28-22-3-1-19(2-4-22)26(32-11-12-33-26)20-7-9-30(10-8-20)25(31)17-21-15-18-16-23(29)5-6-24(18)27(21)34-13-14-35-27/h1-6,16,20-21H,7-15,17H2.
What are the key properties of 1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone?
1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone has a molecular weight of 485.53 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-2-(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-2-yl)ethanone is sourced from PubChem (CID 10345280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).