(3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate

C12H23N3O3 — CID 174590580

IUPAC(3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate
SMILESCCCN(C(=O)ON1CCNC(=O)C1)C(C)(C)C
InChIInChI=1S/C12H23N3O3/c1-5-7-15(12(2,3)4)11(17)18-14-8-6-13-10(16)9-14/h5-9H2,1-4H3,(H,13,16)
InChIKeyJPZBPFFBFPHXEZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.98
Rot. Bonds3

About (3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate

(3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate (PubChem CID 174590580) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate.

Molecular Properties

Compound Name(3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate
PubChem CID174590580
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate
SMILESCCCN(C(=O)ON1CCNC(=O)C1)C(C)(C)C
InChIInChI=1S/C12H23N3O3/c1-5-7-15(12(2,3)4)11(17)18-14-8-6-13-10(16)9-14/h5-9H2,1-4H3,(H,13,16)
InChIKeyJPZBPFFBFPHXEZ-UHFFFAOYSA-N
XLogP0.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate?
The IUPAC name of (3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate (CID 174590580) is (3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate.
What is the SMILES notation for (3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate?
The canonical SMILES for (3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate is CCCN(C(=O)ON1CCNC(=O)C1)C(C)(C)C.
What is the InChIKey of (3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate?
The InChIKey is JPZBPFFBFPHXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-5-7-15(12(2,3)4)11(17)18-14-8-6-13-10(16)9-14/h5-9H2,1-4H3,(H,13,16).
What are the key properties of (3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate?
(3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate has a molecular weight of 257.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxopiperazin-1-yl) N-tert-butyl-N-propylcarbamate is sourced from PubChem (CID 174590580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).