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

C11H22N4O3 — CID 55167527

IUPACmethyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CCN1CCNCC1
InChIInChI=1S/C11H22N4O3/c1-14(9-10(16)13-11(17)18-2)7-8-15-5-3-12-4-6-15/h12H,3-9H2,1-2H3,(H,13,16,17)
InChIKeyXIQBEMMVHOXAQV-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.29
Rot. Bonds5

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

methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate (PubChem CID 55167527) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate
PubChem CID55167527
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Namemethyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CCN1CCNCC1
InChIInChI=1S/C11H22N4O3/c1-14(9-10(16)13-11(17)18-2)7-8-15-5-3-12-4-6-15/h12H,3-9H2,1-2H3,(H,13,16,17)
InChIKeyXIQBEMMVHOXAQV-UHFFFAOYSA-N
XLogP-1.29
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate
CID 54903931
methyl N-(2-piperazin-1-ylacetyl)carbamate
CID 43162377
N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
CID 63265483
4-[[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]amino]butanoic acid
CID 63265218
N-(1-cyanocyclopentyl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
CID 63265641
2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63266542
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetohydrazide
CID 63573409
1-(2,6-dimethylmorpholin-4-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]ethanone
CID 63265431
2-methyl-3-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63265226
N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 126510399
3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 65098202
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate (CID 55167527) is methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate is COC(=O)NC(=O)CN(C)CCN1CCNCC1.
What is the InChIKey of methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate?
The InChIKey is XIQBEMMVHOXAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-14(9-10(16)13-11(17)18-2)7-8-15-5-3-12-4-6-15/h12H,3-9H2,1-2H3,(H,13,16,17).
What are the key properties of methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate?
methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate has a molecular weight of 258.32 g/mol, XLogP of -1.29, 5 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-piperazin-1-ylethyl)amino]acetyl]carbamate is sourced from PubChem (CID 55167527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).