4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one

C20H27N3O2 — CID 128704501

IUPAC4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CC3(CCCCC3)C2c2ccccc2)CCN1
InChIInChI=1S/C20H27N3O2/c24-17-13-22(12-11-21-17)18(25)14-23-15-20(9-5-2-6-10-20)19(23)16-7-3-1-4-8-16/h1,3-4,7-8,19H,2,5-6,9-15H2,(H,21,24)
InChIKeyCMVFHEZFKJTKQE-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.95
Rot. Bonds3

About 4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one

4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one (PubChem CID 128704501) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one
PubChem CID128704501
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CC3(CCCCC3)C2c2ccccc2)CCN1
InChIInChI=1S/C20H27N3O2/c24-17-13-22(12-11-21-17)18(25)14-23-15-20(9-5-2-6-10-20)19(23)16-7-3-1-4-8-16/h1,3-4,7-8,19H,2,5-6,9-15H2,(H,21,24)
InChIKeyCMVFHEZFKJTKQE-UHFFFAOYSA-N
XLogP1.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one with MolForge

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Related Compounds

4-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
CID 120761451
4-[2-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]acetyl]piperazin-2-one
CID 95146154
4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one
CID 167866215
4-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperazin-2-one;hydrochloride
CID 120770878
4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one
CID 71891023
2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol
CID 146100093
1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78897376
3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 68901424
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
4-(2-benzhydrylsulfinylacetyl)piperazin-2-one
CID 51034795
4-[2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]acetyl]piperazin-2-one
CID 37079341
4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one (CID 128704501) is 4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one is O=C1CN(C(=O)CN2CC3(CCCCC3)C2c2ccccc2)CCN1.
What is the InChIKey of 4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one?
The InChIKey is CMVFHEZFKJTKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-17-13-22(12-11-21-17)18(25)14-23-15-20(9-5-2-6-10-20)19(23)16-7-3-1-4-8-16/h1,3-4,7-8,19H,2,5-6,9-15H2,(H,21,24).
What are the key properties of 4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one?
4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one has a molecular weight of 341.46 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 128704501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).