4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one

C10H16N2O2 — CID 16863813

IUPAC4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1CC1
InChIInChI=1S/C10H16N2O2/c1-10(2)9(14)11-5-6-12(10)8(13)7-3-4-7/h7H,3-6H2,1-2H3,(H,11,14)
InChIKeyMXHLLODXGVBZFP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.13
Rot. Bonds1

About 4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one

4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 16863813) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID16863813
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1CC1
InChIInChI=1S/C10H16N2O2/c1-10(2)9(14)11-5-6-12(10)8(13)7-3-4-7/h7H,3-6H2,1-2H3,(H,11,14)
InChIKeyMXHLLODXGVBZFP-UHFFFAOYSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one (CID 16863813) is 4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is MXHLLODXGVBZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2)9(14)11-5-6-12(10)8(13)7-3-4-7/h7H,3-6H2,1-2H3,(H,11,14).
What are the key properties of 4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one?
4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 16863813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).