1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one

C11H18N2O2 — CID 82126762

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H18N2O2/c1-9(14)8-12-4-6-13(7-5-12)11(15)10-2-3-10/h10H,2-8H2,1H3
InChIKeyJSIKGGVLJGADKC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.13
Rot. Bonds3

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one (PubChem CID 82126762) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
PubChem CID82126762
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H18N2O2/c1-9(14)8-12-4-6-13(7-5-12)11(15)10-2-3-10/h10H,2-8H2,1H3
InChIKeyJSIKGGVLJGADKC-UHFFFAOYSA-N
XLogP0.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butane-1,3-dione
CID 54876750
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
(4-aminocyclohexyl)-(4-propylpiperazin-1-yl)methanone
CID 60847754
[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
CID 43251850

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one (CID 82126762) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one is CC(=O)CN1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one?
The InChIKey is JSIKGGVLJGADKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(14)8-12-4-6-13(7-5-12)11(15)10-2-3-10/h10H,2-8H2,1H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-2-one is sourced from PubChem (CID 82126762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).