3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one

C24H35N3O3 — CID 86273384

IUPAC3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
SMILESO=C1OC(CCN2CCN(c3ccccc3N3CCOCC3)CC2)CC12CCCC2
InChIInChI=1S/C24H35N3O3/c28-23-24(8-3-4-9-24)19-20(30-23)7-10-25-11-13-26(14-12-25)21-5-1-2-6-22(21)27-15-17-29-18-16-27/h1-2,5-6,20H,3-4,7-19H2
InChIKeyQBSUKRVEEDGVIW-UHFFFAOYSA-N
MW413.56 g/mol
LogP2.91
Rot. Bonds5

About 3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one

3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one (PubChem CID 86273384) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
PubChem CID86273384
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
SMILESO=C1OC(CCN2CCN(c3ccccc3N3CCOCC3)CC2)CC12CCCC2
InChIInChI=1S/C24H35N3O3/c28-23-24(8-3-4-9-24)19-20(30-23)7-10-25-11-13-26(14-12-25)21-5-1-2-6-22(21)27-15-17-29-18-16-27/h1-2,5-6,20H,3-4,7-19H2
InChIKeyQBSUKRVEEDGVIW-UHFFFAOYSA-N
XLogP2.91
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one?
The IUPAC name of 3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one (CID 86273384) is 3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one.
What is the SMILES notation for 3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one?
The canonical SMILES for 3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one is O=C1OC(CCN2CCN(c3ccccc3N3CCOCC3)CC2)CC12CCCC2.
What is the InChIKey of 3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one?
The InChIKey is QBSUKRVEEDGVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c28-23-24(8-3-4-9-24)19-20(30-23)7-10-25-11-13-26(14-12-25)21-5-1-2-6-22(21)27-15-17-29-18-16-27/h1-2,5-6,20H,3-4,7-19H2.
What are the key properties of 3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one?
3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one has a molecular weight of 413.56 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one is sourced from PubChem (CID 86273384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).