ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate

C10H19N3O3 — CID 65450366

IUPACethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1CCNC(C)C1
InChIInChI=1S/C10H19N3O3/c1-3-16-10(15)12-9(14)7-13-5-4-11-8(2)6-13/h8,11H,3-7H2,1-2H3,(H,12,14,15)
InChIKeyDAYSDSFIOMJAAA-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.45
Rot. Bonds3

About ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate

ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate (PubChem CID 65450366) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate
PubChem CID65450366
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nameethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1CCNC(C)C1
InChIInChI=1S/C10H19N3O3/c1-3-16-10(15)12-9(14)7-13-5-4-11-8(2)6-13/h8,11H,3-7H2,1-2H3,(H,12,14,15)
InChIKeyDAYSDSFIOMJAAA-UHFFFAOYSA-N
XLogP-0.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-(3-methylpiperazin-1-yl)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

N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976909
ethyl 2-(3-methylpiperazin-1-yl)acetate
CID 65450169
N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976988
ethyl 4-[[2-[(3S)-3-methylpiperazin-1-yl]acetyl]amino]butanoate
CID 104976711
2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide
CID 104975433
N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
CID 104975759
N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975687
N-(1-methoxypropan-2-yl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448068
N-methyl-2-[(3R)-3-methylpiperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 104975660
ethyl N-[2-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetyl]carbamate
CID 107389050
N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924667
N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976875

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate?
The IUPAC name of ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate (CID 65450366) is ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate?
The canonical SMILES for ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate is CCOC(=O)NC(=O)CN1CCNC(C)C1.
What is the InChIKey of ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate?
The InChIKey is DAYSDSFIOMJAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-3-16-10(15)12-9(14)7-13-5-4-11-8(2)6-13/h8,11H,3-7H2,1-2H3,(H,12,14,15).
What are the key properties of ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate?
ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate has a molecular weight of 229.28 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate is sourced from PubChem (CID 65450366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).