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

C9H16N2O3 — CID 4777781

IUPACpropyl 2-(3-oxopiperazin-2-yl)acetate
SMILESCCCOC(=O)CC1NCCNC1=O
InChIInChI=1S/C9H16N2O3/c1-2-5-14-8(12)6-7-9(13)11-4-3-10-7/h7,10H,2-6H2,1H3,(H,11,13)
InChIKeyRTNSEXYFBJTZRF-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.58
Rot. Bonds4

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

propyl 2-(3-oxopiperazin-2-yl)acetate (PubChem CID 4777781) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is propyl 2-(3-oxopiperazin-2-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(3-oxopiperazin-2-yl)acetate
PubChem CID4777781
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namepropyl 2-(3-oxopiperazin-2-yl)acetate
SMILESCCCOC(=O)CC1NCCNC1=O
InChIInChI=1S/C9H16N2O3/c1-2-5-14-8(12)6-7-9(13)11-4-3-10-7/h7,10H,2-6H2,1H3,(H,11,13)
InChIKeyRTNSEXYFBJTZRF-UHFFFAOYSA-N
XLogP-0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-oxopiperazin-2-yl)acetate?
The IUPAC name of propyl 2-(3-oxopiperazin-2-yl)acetate (CID 4777781) is propyl 2-(3-oxopiperazin-2-yl)acetate.
What is the SMILES notation for propyl 2-(3-oxopiperazin-2-yl)acetate?
The canonical SMILES for propyl 2-(3-oxopiperazin-2-yl)acetate is CCCOC(=O)CC1NCCNC1=O.
What is the InChIKey of propyl 2-(3-oxopiperazin-2-yl)acetate?
The InChIKey is RTNSEXYFBJTZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-5-14-8(12)6-7-9(13)11-4-3-10-7/h7,10H,2-6H2,1H3,(H,11,13).
What are the key properties of propyl 2-(3-oxopiperazin-2-yl)acetate?
propyl 2-(3-oxopiperazin-2-yl)acetate has a molecular weight of 200.24 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3-oxopiperazin-2-yl)acetate is sourced from PubChem (CID 4777781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).