propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate

C16H22N2O3 — CID 4777786

IUPACpropyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-10-21-15(19)11-14-16(20)17-8-9-18(14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,20)
InChIKeyQJCFHRSTMUEQCX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.33
Rot. Bonds6

About propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate

propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate (PubChem CID 4777786) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate
PubChem CID4777786
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namepropyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-10-21-15(19)11-14-16(20)17-8-9-18(14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,20)
InChIKeyQJCFHRSTMUEQCX-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate?
The IUPAC name of propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate (CID 4777786) is propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate.
What is the SMILES notation for propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate?
The canonical SMILES for propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate is CCCOC(=O)CC1C(=O)NCCN1Cc1ccccc1.
What is the InChIKey of propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate?
The InChIKey is QJCFHRSTMUEQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-10-21-15(19)11-14-16(20)17-8-9-18(14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,20).
What are the key properties of propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate?
propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate has a molecular weight of 290.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate is sourced from PubChem (CID 4777786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).