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

C26H37FN2O2 — CID 91919177

IUPAC2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C26H37FN2O2/c27-22-7-5-21(6-8-22)19-29(23-9-10-23)24-11-16-31-26(18-24)12-14-28(15-13-26)25(30)17-20-3-1-2-4-20/h5-8,20,23-24H,1-4,9-19H2
InChIKeyXEMCHHBSAIRBGZ-UHFFFAOYSA-N
MW428.59 g/mol
LogP4.91
Rot. Bonds6

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

2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 91919177) has the molecular formula C26H37FN2O2 and a molecular weight of 428.59 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID91919177
Molecular FormulaC26H37FN2O2
Molecular Weight428.59 g/mol
Exact Mass428.28
IUPAC Name2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C26H37FN2O2/c27-22-7-5-21(6-8-22)19-29(23-9-10-23)24-11-16-31-26(18-24)12-14-28(15-13-26)25(30)17-20-3-1-2-4-20/h5-8,20,23-24H,1-4,9-19H2
InChIKeyXEMCHHBSAIRBGZ-UHFFFAOYSA-N
XLogP4.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.59
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
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
9-Benzoyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919146
N-cyclopentyl-4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919148
3-Cyclopentyl-1-{4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-propanone
CID 91919171
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
N-benzyl-N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-phenylacetamide
CID 2877769

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (CID 91919177) is 2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is O=C(CC1CCCC1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2.
What is the InChIKey of 2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is XEMCHHBSAIRBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN2O2/c27-22-7-5-21(6-8-22)19-29(23-9-10-23)24-11-16-31-26(18-24)12-14-28(15-13-26)25(30)17-20-3-1-2-4-20/h5-8,20,23-24H,1-4,9-19H2.
What are the key properties of 2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 428.59 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 91919177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).