methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate

C11H20N4O4 — CID 54903931

IUPACmethyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(=O)N1CCNCC1
InChIInChI=1S/C11H20N4O4/c1-14(7-9(16)13-11(18)19-2)8-10(17)15-5-3-12-4-6-15/h12H,3-8H2,1-2H3,(H,13,16,18)
InChIKeyAVNYPVTUJSYHCI-UHFFFAOYSA-N
MW272.30 g/mol
LogP-1.77
Rot. Bonds4

About methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate

methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate (PubChem CID 54903931) has the molecular formula C11H20N4O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate
PubChem CID54903931
Molecular FormulaC11H20N4O4
Molecular Weight272.30 g/mol
Exact Mass272.15
IUPAC Namemethyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(=O)N1CCNCC1
InChIInChI=1S/C11H20N4O4/c1-14(7-9(16)13-11(18)19-2)8-10(17)15-5-3-12-4-6-15/h12H,3-8H2,1-2H3,(H,13,16,18)
InChIKeyAVNYPVTUJSYHCI-UHFFFAOYSA-N
XLogP-1.77
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903898
methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate
CID 55167527
N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904322
N-cyclopropyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914949
N-butan-2-yl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904286
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
N-(3-chloro-4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915267

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate (CID 54903931) is methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate is COC(=O)NC(=O)CN(C)CC(=O)N1CCNCC1.
What is the InChIKey of methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate?
The InChIKey is AVNYPVTUJSYHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-14(7-9(16)13-11(18)19-2)8-10(17)15-5-3-12-4-6-15/h12H,3-8H2,1-2H3,(H,13,16,18).
What are the key properties of methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate?
methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate has a molecular weight of 272.30 g/mol, XLogP of -1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate is sourced from PubChem (CID 54903931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).