3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one

C21H29FN2O2 — CID 175644627

IUPAC3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C1OC(CN2CCC(Cc3ccccc3F)CC2)CC12CCNCC2
InChIInChI=1S/C21H29FN2O2/c22-19-4-2-1-3-17(19)13-16-5-11-24(12-6-16)15-18-14-21(20(25)26-18)7-9-23-10-8-21/h1-4,16,18,23H,5-15H2
InChIKeyCYACYSROINKNTP-UHFFFAOYSA-N
MW360.47 g/mol
LogP2.77
Rot. Bonds4

About 3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one

3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 175644627) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID175644627
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C1OC(CN2CCC(Cc3ccccc3F)CC2)CC12CCNCC2
InChIInChI=1S/C21H29FN2O2/c22-19-4-2-1-3-17(19)13-16-5-11-24(12-6-16)15-18-14-21(20(25)26-18)7-9-23-10-8-21/h1-4,16,18,23H,5-15H2
InChIKeyCYACYSROINKNTP-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one (CID 175644627) is 3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one is O=C1OC(CN2CCC(Cc3ccccc3F)CC2)CC12CCNCC2.
What is the InChIKey of 3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is CYACYSROINKNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-19-4-2-1-3-17(19)13-16-5-11-24(12-6-16)15-18-14-21(20(25)26-18)7-9-23-10-8-21/h1-4,16,18,23H,5-15H2.
What are the key properties of 3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 360.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 175644627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).