5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one

C21H29FN2O2 — CID 129073936

IUPAC5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCC(C)N1CC(C2CCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C21H29FN2O2/c1-15(2)24-14-19(26-21(9-10-21)20(24)25)17-7-11-23(12-8-17)13-16-3-5-18(22)6-4-16/h3-6,15,17,19H,7-14H2,1-2H3
InChIKeyGZBQYWKTOOULBS-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.21
Rot. Bonds4

About 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one

5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one (PubChem CID 129073936) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one
PubChem CID129073936
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCC(C)N1CC(C2CCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C21H29FN2O2/c1-15(2)24-14-19(26-21(9-10-21)20(24)25)17-7-11-23(12-8-17)13-16-3-5-18(22)6-4-16/h3-6,15,17,19H,7-14H2,1-2H3
InChIKeyGZBQYWKTOOULBS-UHFFFAOYSA-N
XLogP3.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-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 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one?
The IUPAC name of 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one (CID 129073936) is 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one.
What is the SMILES notation for 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one?
The canonical SMILES for 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one is CC(C)N1CC(C2CCN(Cc3ccc(F)cc3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one?
The InChIKey is GZBQYWKTOOULBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-15(2)24-14-19(26-21(9-10-21)20(24)25)17-7-11-23(12-8-17)13-16-3-5-18(22)6-4-16/h3-6,15,17,19H,7-14H2,1-2H3.
What are the key properties of 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one?
5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one has a molecular weight of 360.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one is sourced from PubChem (CID 129073936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).