ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate

C15H24N4O2 — CID 64662976

IUPACethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C15H24N4O2/c1-3-13(15(20)21-4-2)18-8-10-19(11-9-18)14-12(16)6-5-7-17-14/h5-7,13H,3-4,8-11,16H2,1-2H3
InChIKeyYPYIQEJBZFIQTF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.13
Rot. Bonds5

About ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate

ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate (PubChem CID 64662976) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
PubChem CID64662976
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C15H24N4O2/c1-3-13(15(20)21-4-2)18-8-10-19(11-9-18)14-12(16)6-5-7-17-14/h5-7,13H,3-4,8-11,16H2,1-2H3
InChIKeyYPYIQEJBZFIQTF-UHFFFAOYSA-N
XLogP1.13
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151
2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 43462186
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
CID 43384277
ethyl (2R)-2-[4-(4-methylphenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]butanoate
CID 95102262
1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43462094
methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate
CID 114461595
methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
CID 43462177
2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyridin-3-amine
CID 63205864
2-(3-ethyl-3-methylazetidin-1-yl)pyridin-3-amine
CID 131071383
2-[4-(5,6-dimethylpyrazin-2-yl)piperazin-1-yl]pyridin-3-amine
CID 114476668
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
The IUPAC name of ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate (CID 64662976) is ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate.
What is the SMILES notation for ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
The canonical SMILES for ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate is CCOC(=O)C(CC)N1CCN(c2ncccc2N)CC1.
What is the InChIKey of ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
The InChIKey is YPYIQEJBZFIQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-13(15(20)21-4-2)18-8-10-19(11-9-18)14-12(16)6-5-7-17-14/h5-7,13H,3-4,8-11,16H2,1-2H3.
What are the key properties of ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate has a molecular weight of 292.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate is sourced from PubChem (CID 64662976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).