3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one

C27H39FN2O2 — CID 91919171

IUPAC3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C27H39FN2O2/c28-23-8-5-22(6-9-23)20-30(24-10-11-24)25-13-18-32-27(19-25)14-16-29(17-15-27)26(31)12-7-21-3-1-2-4-21/h5-6,8-9,21,24-25H,1-4,7,10-20H2
InChIKeyLJAQYDSSHQQCIR-UHFFFAOYSA-N
MW442.62 g/mol
LogP5.30
Rot. Bonds7

About 3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one

3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one (PubChem CID 91919171) has the molecular formula C27H39FN2O2 and a molecular weight of 442.62 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
PubChem CID91919171
Molecular FormulaC27H39FN2O2
Molecular Weight442.62 g/mol
Exact Mass442.30
IUPAC Name3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2
InChIInChI=1S/C27H39FN2O2/c28-23-8-5-22(6-9-23)20-30(24-10-11-24)25-13-18-32-27(19-25)14-16-29(17-15-27)26(31)12-7-21-3-1-2-4-21/h5-6,8-9,21,24-25H,1-4,7,10-20H2
InChIKeyLJAQYDSSHQQCIR-UHFFFAOYSA-N
XLogP5.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.62
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one (CID 91919171) is 3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC2(CC1)CC(N(Cc1ccc(F)cc1)C1CC1)CCO2.
What is the InChIKey of 3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one?
The InChIKey is LJAQYDSSHQQCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39FN2O2/c28-23-8-5-22(6-9-23)20-30(24-10-11-24)25-13-18-32-27(19-25)14-16-29(17-15-27)26(31)12-7-21-3-1-2-4-21/h5-6,8-9,21,24-25H,1-4,7,10-20H2.
What are the key properties of 3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one?
3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one has a molecular weight of 442.62 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one is sourced from PubChem (CID 91919171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).