3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile

C7H9N3O2 — CID 24700108

IUPAC3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile
SMILESN#CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H9N3O2/c8-2-1-7(12)10-4-3-9-6(11)5-10/h1,3-5H2,(H,9,11)
InChIKeyQNBBADIBRBOBKA-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.14
Rot. Bonds1

About 3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile

3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile (PubChem CID 24700108) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile
PubChem CID24700108
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile
SMILESN#CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H9N3O2/c8-2-1-7(12)10-4-3-9-6(11)5-10/h1,3-5H2,(H,9,11)
InChIKeyQNBBADIBRBOBKA-UHFFFAOYSA-N
XLogP-1.14
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948
4-(2-tert-butylsulfanylacetyl)piperazin-2-one
CID 35795928
4-acetylpiperazin-2-one
CID 12744517
4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
CID 119681640
4-(3-ethoxypropanoyl)piperazin-2-one
CID 62849149
4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-2-one
CID 36800649
2-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]sulfanylacetonitrile
CID 62045396
4-[2-(azetidin-3-yloxy)acetyl]piperazin-2-one
CID 119681648
N,N-dimethyl-2-[methyl-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]acetamide
CID 30758749
4-(3-propoxypropanoyl)piperazin-2-one
CID 62848969

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile?
The IUPAC name of 3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile (CID 24700108) is 3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile.
What is the SMILES notation for 3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile?
The canonical SMILES for 3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile is N#CCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile?
The InChIKey is QNBBADIBRBOBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-2-1-7(12)10-4-3-9-6(11)5-10/h1,3-5H2,(H,9,11).
What are the key properties of 3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile?
3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile has a molecular weight of 167.17 g/mol, XLogP of -1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile is sourced from PubChem (CID 24700108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).