tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate

C13H23N3O4 — CID 64682865

IUPACtert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C13H23N3O4/c1-9(14-12(19)20-13(2,3)4)11(18)16-7-6-15(5)10(17)8-16/h9H,6-8H2,1-5H3,(H,14,19)
InChIKeyDGYPQLNGDZHGLY-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.20
Rot. Bonds2

About tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 64682865) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate
PubChem CID64682865
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nametert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C13H23N3O4/c1-9(14-12(19)20-13(2,3)4)11(18)16-7-6-15(5)10(17)8-16/h9H,6-8H2,1-5H3,(H,14,19)
InChIKeyDGYPQLNGDZHGLY-UHFFFAOYSA-N
XLogP0.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
tert-butyl N-[1-(3-azabicyclo[3.2.0]heptan-3-yl)-1-oxopropan-2-yl]carbamate
CID 175191269
tert-butyl N-[(2R)-1-(3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 71279861
tert-butyl N-[1-(4-carbamoylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
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tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55560389
tert-butyl N-[(2R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 52563079
1-hydroxypyrrolidine-2,5-dione;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 67713087
tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate
CID 71942740
methyl N-[(2R)-1-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 96572112
tert-butyl N-[(2R)-1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]carbamate
CID 171493245
tert-butyl N-[1-[4-(4-methylbenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55956466
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate (CID 64682865) is tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is DGYPQLNGDZHGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(14-12(19)20-13(2,3)4)11(18)16-7-6-15(5)10(17)8-16/h9H,6-8H2,1-5H3,(H,14,19).
What are the key properties of tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 64682865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).