1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one

C13H22N2O2 — CID 776750

IUPAC1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H22N2O2/c1-10(2)9-12(16)14-5-7-15(8-6-14)13(17)11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyCFDRPIIBJSDHHV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.11
Rot. Bonds3

About 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 776750) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID776750
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H22N2O2/c1-10(2)9-12(16)14-5-7-15(8-6-14)13(17)11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyCFDRPIIBJSDHHV-UHFFFAOYSA-N
XLogP1.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one (CID 776750) is 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is CFDRPIIBJSDHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)9-12(16)14-5-7-15(8-6-14)13(17)11-3-4-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 238.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 776750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).