ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate

C12H18N4O2 — CID 107876769

IUPACethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cccnc2N)CC1
InChIInChI=1S/C12H18N4O2/c1-2-18-12(17)16-8-6-15(7-9-16)10-4-3-5-14-11(10)13/h3-5H,2,6-9H2,1H3,(H2,13,14)
InChIKeyCPRQVOIESUUNJG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.94
Rot. Bonds2

About ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate

ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate (PubChem CID 107876769) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
PubChem CID107876769
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Nameethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cccnc2N)CC1
InChIInChI=1S/C12H18N4O2/c1-2-18-12(17)16-8-6-15(7-9-16)10-4-3-5-14-11(10)13/h3-5H,2,6-9H2,1H3,(H2,13,14)
InChIKeyCPRQVOIESUUNJG-UHFFFAOYSA-N
XLogP0.94
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate 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

ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
CID 103633734
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
[1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate
CID 175116323
ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877242
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
3-(4-ethoxycarbonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107877070
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate
CID 82555488
4-amino-3-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid
CID 107877589
ethyl 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112862923
ethyl 4-(3-chloro-2-formylphenyl)piperazine-1-carboxylate
CID 107877137

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate (CID 107876769) is ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cccnc2N)CC1.
What is the InChIKey of ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate?
The InChIKey is CPRQVOIESUUNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-18-12(17)16-8-6-15(7-9-16)10-4-3-5-14-11(10)13/h3-5H,2,6-9H2,1H3,(H2,13,14).
What are the key properties of ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate?
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 107876769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).