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

C10H18N2O3 — CID 3308359

IUPACbutyl 2-(3-oxopiperazin-2-yl)acetate
SMILESCCCCOC(=O)CC1NCCNC1=O
InChIInChI=1S/C10H18N2O3/c1-2-3-6-15-9(13)7-8-10(14)12-5-4-11-8/h8,11H,2-7H2,1H3,(H,12,14)
InChIKeyPMBWQDCICUWYHX-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.19
Rot. Bonds5

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

butyl 2-(3-oxopiperazin-2-yl)acetate (PubChem CID 3308359) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is butyl 2-(3-oxopiperazin-2-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(3-oxopiperazin-2-yl)acetate
PubChem CID3308359
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namebutyl 2-(3-oxopiperazin-2-yl)acetate
SMILESCCCCOC(=O)CC1NCCNC1=O
InChIInChI=1S/C10H18N2O3/c1-2-3-6-15-9(13)7-8-10(14)12-5-4-11-8/h8,11H,2-7H2,1H3,(H,12,14)
InChIKeyPMBWQDCICUWYHX-UHFFFAOYSA-N
XLogP-0.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-oxopiperazin-2-yl)acetate?
The IUPAC name of butyl 2-(3-oxopiperazin-2-yl)acetate (CID 3308359) is butyl 2-(3-oxopiperazin-2-yl)acetate.
What is the SMILES notation for butyl 2-(3-oxopiperazin-2-yl)acetate?
The canonical SMILES for butyl 2-(3-oxopiperazin-2-yl)acetate is CCCCOC(=O)CC1NCCNC1=O.
What is the InChIKey of butyl 2-(3-oxopiperazin-2-yl)acetate?
The InChIKey is PMBWQDCICUWYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-3-6-15-9(13)7-8-10(14)12-5-4-11-8/h8,11H,2-7H2,1H3,(H,12,14).
What are the key properties of butyl 2-(3-oxopiperazin-2-yl)acetate?
butyl 2-(3-oxopiperazin-2-yl)acetate has a molecular weight of 214.26 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-oxopiperazin-2-yl)acetate is sourced from PubChem (CID 3308359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).