4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one

C12H19N3O3 — CID 167866215

IUPAC4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CC(O)C3(CC3)C2)CCN1
InChIInChI=1S/C12H19N3O3/c16-9-5-14(8-12(9)1-2-12)7-11(18)15-4-3-13-10(17)6-15/h9,16H,1-8H2,(H,13,17)
InChIKeyIKZORZSNGKZOHB-UHFFFAOYSA-N
MW253.30 g/mol
LogP-1.60
Rot. Bonds2

About 4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one

4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one (PubChem CID 167866215) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one
PubChem CID167866215
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CC(O)C3(CC3)C2)CCN1
InChIInChI=1S/C12H19N3O3/c16-9-5-14(8-12(9)1-2-12)7-11(18)15-4-3-13-10(17)6-15/h9,16H,1-8H2,(H,13,17)
InChIKeyIKZORZSNGKZOHB-UHFFFAOYSA-N
XLogP-1.60
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one
CID 36800649
4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one
CID 62837528
4-[2-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)acetyl]piperazin-2-one
CID 128704501
4-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
CID 120761451
4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66084891
4-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetyl]piperazin-2-one
CID 154775681
3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile
CID 24700108
4-[2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]acetyl]piperazin-2-one
CID 37079341
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one
CID 56799956
4-[2-(1,1-dioxothiolan-3-yl)acetyl]piperazin-2-one
CID 55023787
4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one (CID 167866215) is 4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one is O=C1CN(C(=O)CN2CC(O)C3(CC3)C2)CCN1.
What is the InChIKey of 4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one?
The InChIKey is IKZORZSNGKZOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c16-9-5-14(8-12(9)1-2-12)7-11(18)15-4-3-13-10(17)6-15/h9,16H,1-8H2,(H,13,17).
What are the key properties of 4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one?
4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one has a molecular weight of 253.30 g/mol, XLogP of -1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 167866215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).