3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one

C23H31N3O2 — CID 86274573

IUPAC3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
SMILESO=C1OC(CCN2CCN(c3ccc4[nH]ccc4c3)CC2)CC12CCCCC2
InChIInChI=1S/C23H31N3O2/c27-22-23(8-2-1-3-9-23)17-20(28-22)7-11-25-12-14-26(15-13-25)19-4-5-21-18(16-19)6-10-24-21/h4-6,10,16,20,24H,1-3,7-9,11-15,17H2
InChIKeyNETSOPFOYBGXKZ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.95
Rot. Bonds4

About 3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one

3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one (PubChem CID 86274573) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
PubChem CID86274573
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
SMILESO=C1OC(CCN2CCN(c3ccc4[nH]ccc4c3)CC2)CC12CCCCC2
InChIInChI=1S/C23H31N3O2/c27-22-23(8-2-1-3-9-23)17-20(28-22)7-11-25-12-14-26(15-13-25)19-4-5-21-18(16-19)6-10-24-21/h4-6,10,16,20,24H,1-3,7-9,11-15,17H2
InChIKeyNETSOPFOYBGXKZ-UHFFFAOYSA-N
XLogP3.95
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of 3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one (CID 86274573) is 3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one is O=C1OC(CCN2CCN(c3ccc4[nH]ccc4c3)CC2)CC12CCCCC2.
What is the InChIKey of 3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
The InChIKey is NETSOPFOYBGXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-22-23(8-2-1-3-9-23)17-20(28-22)7-11-25-12-14-26(15-13-25)19-4-5-21-18(16-19)6-10-24-21/h4-6,10,16,20,24H,1-3,7-9,11-15,17H2.
What are the key properties of 3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one has a molecular weight of 381.52 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 86274573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).