1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone

C27H33FN2O2 — CID 91908293

IUPAC1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CC1)CC(N(Cc1ccccc1)C1CC1)CCO2
InChIInChI=1S/C27H33FN2O2/c28-23-8-6-21(7-9-23)18-26(31)29-15-13-27(14-16-29)19-25(12-17-32-27)30(24-10-11-24)20-22-4-2-1-3-5-22/h1-9,24-25H,10-20H2
InChIKeyTVTSVDPMOSTUEZ-UHFFFAOYSA-N
MW436.57 g/mol
LogP4.57
Rot. Bonds6

About 1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone

1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 91908293) has the molecular formula C27H33FN2O2 and a molecular weight of 436.57 g/mol. Its IUPAC name is 1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone
PubChem CID91908293
Molecular FormulaC27H33FN2O2
Molecular Weight436.57 g/mol
Exact Mass436.25
IUPAC Name1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CC1)CC(N(Cc1ccccc1)C1CC1)CCO2
InChIInChI=1S/C27H33FN2O2/c28-23-8-6-21(7-9-23)18-26(31)29-15-13-27(14-16-29)19-25(12-17-32-27)30(24-10-11-24)20-22-4-2-1-3-5-22/h1-9,24-25H,10-20H2
InChIKeyTVTSVDPMOSTUEZ-UHFFFAOYSA-N
XLogP4.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone with MolForge

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Related Compounds

N-(6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)hexyl)-N-methylcyclopropanaminium
CID 44306371
1-[4-[Cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2,2-dimethylbutan-1-one
CID 91919185
2-(3-Fluorophenyl)-1-{1-oxa-9-azaspiro[5.5]undecan-9-YL}ethan-1-one
CID 110203850
N-Benzyl-N-cyclopropyl-9-(3-fluoro-4-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908294
9-Benzoyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919146
3-Cyclopentyl-1-{4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-propanone
CID 91919171
2-Cyclopentyl-1-(4-{cyclopropyl[(4-fluorophenyl)methyl]amino}-1-oxa-9-azaspiro[5.5]undecan-9-YL)ethan-1-one
CID 91919177
9-Cyclohexanecarbonyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919179
1-(4-{Cyclopropyl[(4-fluorophenyl)methyl]amino}-1-oxa-9-azaspiro[5.5]undecan-9-YL)-2-ethylbutan-1-one
CID 91919181
2-Cyclohexyl-1-{4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-ethanone
CID 91919184
4-[(4-Fluorophenyl)methyl]-9-(3-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053246
1-(9-Benzyl-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)-2-(3-fluorophenyl)ethanone
CID 134805520

Frequently Asked Questions

What is the IUPAC name of 1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone (CID 91908293) is 1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCC2(CC1)CC(N(Cc1ccccc1)C1CC1)CCO2.
What is the InChIKey of 1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is TVTSVDPMOSTUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O2/c28-23-8-6-21(7-9-23)18-26(31)29-15-13-27(14-16-29)19-25(12-17-32-27)30(24-10-11-24)20-22-4-2-1-3-5-22/h1-9,24-25H,10-20H2.
What are the key properties of 1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone?
1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 436.57 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 91908293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).