[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone

C26H31FN2O2 — CID 91919146

IUPAC[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C26H31FN2O2/c27-22-8-6-20(7-9-22)19-29(23-10-11-23)24-12-17-31-26(18-24)13-15-28(16-14-26)25(30)21-4-2-1-3-5-21/h1-9,23-24H,10-19H2
InChIKeyLILHDPVWFBSCIA-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.64
Rot. Bonds5

About [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone

[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone (PubChem CID 91919146) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone
PubChem CID91919146
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C26H31FN2O2/c27-22-8-6-20(7-9-22)19-29(23-10-11-23)24-12-17-31-26(18-24)13-15-28(16-14-26)25(30)21-4-2-1-3-5-21/h1-9,23-24H,10-19H2
InChIKeyLILHDPVWFBSCIA-UHFFFAOYSA-N
XLogP4.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone with MolForge

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Related Compounds

4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
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
1-(3-Fluorobenzoyl)-4-[(1-methylpiperidin-4-YL)oxy]piperidine
CID 91916428
9-(2,5-Difluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917965
2-(3-Fluorophenyl)-1-{1-oxa-9-azaspiro[5.5]undecan-9-YL}ethan-1-one
CID 110203850
1-{4-[Benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-YL}-2-(4-fluorophenyl)ethan-1-one
CID 91908293
N-Benzyl-N-cyclopropyl-9-(3-fluoro-4-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908294
{4-[(1-Benzyl-4-piperidyl)oxy]piperidino}(2,6-difluorophenyl)methanone
CID 91916473
4-[(1-Benzylpiperidin-4-YL)oxy]-1-(4-fluorobenzoyl)piperidine
CID 91916474
3-Cyclopentyl-1-{4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-propanone
CID 91919171

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone?
The IUPAC name of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone (CID 91919146) is [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone.
What is the SMILES notation for [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone?
The canonical SMILES for [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2.
What is the InChIKey of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone?
The InChIKey is LILHDPVWFBSCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O2/c27-22-8-6-20(7-9-22)19-29(23-10-11-23)24-12-17-31-26(18-24)13-15-28(16-14-26)25(30)21-4-2-1-3-5-21/h1-9,23-24H,10-19H2.
What are the key properties of [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone?
[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone has a molecular weight of 422.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-phenylmethanone is sourced from PubChem (CID 91919146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).