tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate

C13H25N3O3 — CID 70112562

IUPACtert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C[C@@H]1CNCC(=O)N1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25N3O3/c1-9(2)16(12(18)19-13(3,4)5)8-10-6-14-7-11(17)15-10/h9-10,14H,6-8H2,1-5H3,(H,15,17)/t10-/m0/s1
InChIKeyUWWXKVGYGIKNEB-JTQLQIEISA-N
MW271.36 g/mol
LogP0.72
Rot. Bonds3

About tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 70112562) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID70112562
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(C[C@@H]1CNCC(=O)N1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H25N3O3/c1-9(2)16(12(18)19-13(3,4)5)8-10-6-14-7-11(17)15-10/h9-10,14H,6-8H2,1-5H3,(H,15,17)/t10-/m0/s1
InChIKeyUWWXKVGYGIKNEB-JTQLQIEISA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propylcarbamate
CID 167201325
tert-butyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553709
2-[4-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]piperidin-1-yl]acetic acid
CID 66566444
tert-butyl N-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553536
tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate
CID 50987936
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 96553811
tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566035
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245646
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
tert-butyl N-[[1-(2-aminoacetyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566227
tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826736
tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
CID 105468762

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate (CID 70112562) is tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate is CC(C)N(C[C@@H]1CNCC(=O)N1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is UWWXKVGYGIKNEB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(2)16(12(18)19-13(3,4)5)8-10-6-14-7-11(17)15-10/h9-10,14H,6-8H2,1-5H3,(H,15,17)/t10-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 271.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-6-oxopiperazin-2-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 70112562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).