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

C22H32N2O2 — CID 11951973

IUPAC2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene
SMILESc1cc(OCCCN2CCCCC2)cc(C2=NC3(CCCCC3)CO2)c1
InChIInChI=1S/C22H32N2O2/c1-3-11-22(12-4-1)18-26-21(23-22)19-9-7-10-20(17-19)25-16-8-15-24-13-5-2-6-14-24/h7,9-10,17H,1-6,8,11-16,18H2
InChIKeyULZSGWCYACUZSK-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.42
Rot. Bonds6

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

2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene (PubChem CID 11951973) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene.

Molecular Properties

Compound Name2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene
PubChem CID11951973
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene
SMILESc1cc(OCCCN2CCCCC2)cc(C2=NC3(CCCCC3)CO2)c1
InChIInChI=1S/C22H32N2O2/c1-3-11-22(12-4-1)18-26-21(23-22)19-9-7-10-20(17-19)25-16-8-15-24-13-5-2-6-14-24/h7,9-10,17H,1-6,8,11-16,18H2
InChIKeyULZSGWCYACUZSK-UHFFFAOYSA-N
XLogP4.42
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-1,3-oxazole
CID 11702447
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
2-[4-(2-methyl-3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene
CID 11950020
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
5-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]-2H-triazole-4-carbonitrile
CID 146558143
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene?
The IUPAC name of 2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene (CID 11951973) is 2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene.
What is the SMILES notation for 2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene?
The canonical SMILES for 2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene is c1cc(OCCCN2CCCCC2)cc(C2=NC3(CCCCC3)CO2)c1.
What is the InChIKey of 2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene?
The InChIKey is ULZSGWCYACUZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-11-22(12-4-1)18-26-21(23-22)19-9-7-10-20(17-19)25-16-8-15-24-13-5-2-6-14-24/h7,9-10,17H,1-6,8,11-16,18H2.
What are the key properties of 2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene?
2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene has a molecular weight of 356.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-piperidin-1-ylpropoxy)phenyl]-3-oxa-1-azaspiro[4.5]dec-1-ene is sourced from PubChem (CID 11951973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).