8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one

C22H31N3O2 — CID 11303180

IUPAC8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one
SMILESCOc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C22H31N3O2/c1-27-20-7-3-2-6-19(20)24-15-12-23(13-16-24)14-17-25-11-10-22(18-21(25)26)8-4-5-9-22/h2-3,6-7,10-11H,4-5,8-9,12-18H2,1H3
InChIKeyNMZPGTCGQWMZBC-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.12
Rot. Bonds5

About 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one

8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one (PubChem CID 11303180) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one.

Molecular Properties

Compound Name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one
PubChem CID11303180
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one
SMILESCOc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C22H31N3O2/c1-27-20-7-3-2-6-19(20)24-15-12-23(13-16-24)14-17-25-11-10-22(18-21(25)26)8-4-5-9-22/h2-3,6-7,10-11H,4-5,8-9,12-18H2,1H3
InChIKeyNMZPGTCGQWMZBC-UHFFFAOYSA-N
XLogP3.12
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one?
The IUPAC name of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one (CID 11303180) is 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one.
What is the SMILES notation for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one?
The canonical SMILES for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one is COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1.
What is the InChIKey of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one?
The InChIKey is NMZPGTCGQWMZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-27-20-7-3-2-6-19(20)24-15-12-23(13-16-24)14-17-25-11-10-22(18-21(25)26)8-4-5-9-22/h2-3,6-7,10-11H,4-5,8-9,12-18H2,1H3.
What are the key properties of 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one?
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one has a molecular weight of 369.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]dec-9-en-7-one is sourced from PubChem (CID 11303180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).