1-(4-benzoylpiperazin-1-yl)propan-1-one

C14H18N2O2 — CID 4223812

IUPAC1-(4-benzoylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O2/c1-2-13(17)15-8-10-16(11-9-15)14(18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyDGOWDUFJCINDGI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.38
Rot. Bonds2

About 1-(4-benzoylpiperazin-1-yl)propan-1-one

1-(4-benzoylpiperazin-1-yl)propan-1-one (PubChem CID 4223812) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)propan-1-one
PubChem CID4223812
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(4-benzoylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O2/c1-2-13(17)15-8-10-16(11-9-15)14(18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyDGOWDUFJCINDGI-UHFFFAOYSA-N
XLogP1.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)propan-1-one (CID 4223812) is 1-(4-benzoylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)propan-1-one is CCC(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)propan-1-one?
The InChIKey is DGOWDUFJCINDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-13(17)15-8-10-16(11-9-15)14(18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)propan-1-one?
1-(4-benzoylpiperazin-1-yl)propan-1-one has a molecular weight of 246.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 4223812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).