(1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate

C17H22N2O4 — CID 132938264

IUPAC(1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate
SMILESCCC(=O)N1CCN(C(=O)c2ccccc2)C(COC(C)=O)C1
InChIInChI=1S/C17H22N2O4/c1-3-16(21)18-9-10-19(15(11-18)12-23-13(2)20)17(22)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3
InChIKeyUNJVPFIRWDCPLH-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.31
Rot. Bonds4

About (1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate

(1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate (PubChem CID 132938264) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate.

Molecular Properties

Compound Name(1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate
PubChem CID132938264
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate
SMILESCCC(=O)N1CCN(C(=O)c2ccccc2)C(COC(C)=O)C1
InChIInChI=1S/C17H22N2O4/c1-3-16(21)18-9-10-19(15(11-18)12-23-13(2)20)17(22)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3
InChIKeyUNJVPFIRWDCPLH-UHFFFAOYSA-N
XLogP1.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate?
The IUPAC name of (1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate (CID 132938264) is (1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate.
What is the SMILES notation for (1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate?
The canonical SMILES for (1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate is CCC(=O)N1CCN(C(=O)c2ccccc2)C(COC(C)=O)C1.
What is the InChIKey of (1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate?
The InChIKey is UNJVPFIRWDCPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-16(21)18-9-10-19(15(11-18)12-23-13(2)20)17(22)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3.
What are the key properties of (1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate?
(1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate has a molecular weight of 318.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoyl-4-propanoylpiperazin-2-yl)methyl acetate is sourced from PubChem (CID 132938264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).