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

C14H22N4O2 — CID 43462177

IUPACmethyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCN(c2ncccc2N)CC1
InChIInChI=1S/C14H22N4O2/c1-20-13(19)5-3-7-17-8-10-18(11-9-17)14-12(15)4-2-6-16-14/h2,4,6H,3,5,7-11,15H2,1H3
InChIKeyVDXOGCMRZOFBSE-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.74
Rot. Bonds5

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

methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate (PubChem CID 43462177) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
PubChem CID43462177
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCN(c2ncccc2N)CC1
InChIInChI=1S/C14H22N4O2/c1-20-13(19)5-3-7-17-8-10-18(11-9-17)14-12(15)4-2-6-16-14/h2,4,6H,3,5,7-11,15H2,1H3
InChIKeyVDXOGCMRZOFBSE-UHFFFAOYSA-N
XLogP0.74
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
The IUPAC name of methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate (CID 43462177) is methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
The canonical SMILES for methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate is COC(=O)CCCN1CCN(c2ncccc2N)CC1.
What is the InChIKey of methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
The InChIKey is VDXOGCMRZOFBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-13(19)5-3-7-17-8-10-18(11-9-17)14-12(15)4-2-6-16-14/h2,4,6H,3,5,7-11,15H2,1H3.
What are the key properties of methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate has a molecular weight of 278.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate is sourced from PubChem (CID 43462177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).