2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene

C23H34N2O2 — CID 11950020

IUPAC2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene
SMILESCC(COc1ccc(C2=NC3(CCCCC3)CO2)cc1)CN1CCCCC1
InChIInChI=1S/C23H34N2O2/c1-19(16-25-14-6-3-7-15-25)17-26-21-10-8-20(9-11-21)22-24-23(18-27-22)12-4-2-5-13-23/h8-11,19H,2-7,12-18H2,1H3
InChIKeyXHALYINFRMKOCT-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.67
Rot. Bonds6

About 2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene

2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene (PubChem CID 11950020) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene.

Molecular Properties

Compound Name2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene
PubChem CID11950020
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene
SMILESCC(COc1ccc(C2=NC3(CCCCC3)CO2)cc1)CN1CCCCC1
InChIInChI=1S/C23H34N2O2/c1-19(16-25-14-6-3-7-15-25)17-26-21-10-8-20(9-11-21)22-24-23(18-27-22)12-4-2-5-13-23/h8-11,19H,2-7,12-18H2,1H3
InChIKeyXHALYINFRMKOCT-UHFFFAOYSA-N
XLogP4.67
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene?
The IUPAC name of 2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene (CID 11950020) is 2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene.
What is the SMILES notation for 2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene?
The canonical SMILES for 2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene is CC(COc1ccc(C2=NC3(CCCCC3)CO2)cc1)CN1CCCCC1.
What is the InChIKey of 2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene?
The InChIKey is XHALYINFRMKOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-19(16-25-14-6-3-7-15-25)17-26-21-10-8-20(9-11-21)22-24-23(18-27-22)12-4-2-5-13-23/h8-11,19H,2-7,12-18H2,1H3.
What are the key properties of 2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene?
2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene has a molecular weight of 370.54 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene is sourced from PubChem (CID 11950020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).