methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate

C20H26N4O3 — CID 18918214

IUPACmethyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate
SMILESCOC(=O)C(N)CCOc1ccc(N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-26-20(25)19(21)8-15-27-18-4-2-16(3-5-18)23-11-13-24(14-12-23)17-6-9-22-10-7-17/h2-7,9-10,19H,8,11-15,21H2,1H3
InChIKeyGKXWYGXZGRSTGL-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.68
Rot. Bonds7

About methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate

methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate (PubChem CID 18918214) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate
PubChem CID18918214
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Namemethyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate
SMILESCOC(=O)C(N)CCOc1ccc(N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H26N4O3/c1-26-20(25)19(21)8-15-27-18-4-2-16(3-5-18)23-11-13-24(14-12-23)17-6-9-22-10-7-17/h2-7,9-10,19H,8,11-15,21H2,1H3
InChIKeyGKXWYGXZGRSTGL-UHFFFAOYSA-N
XLogP1.68
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate 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 2-amino-4-(4-methoxyphenoxy)butanoate
CID 63041427
methyl 2-amino-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate;dihydrochloride
CID 18918539
methyl 3-methyl-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pent-4-enoate
CID 70081912
methyl 3-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]methyl]pent-4-enoate
CID 18918477
methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604
methyl 3-amino-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate
CID 18918309
4-(4-tert-butylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)butan-1-one
CID 166191715
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
4-[4-(2-methoxyethoxy)phenyl]piperazin-1-amine
CID 71214484
methyl 2-amino-4-(3,5-dimethylphenoxy)butanoate
CID 63041209
2-amino-4-oxo-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]butanoic acid
CID 70110345
methyl 2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)acetate
CID 67665335

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate?
The IUPAC name of methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate (CID 18918214) is methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate.
What is the SMILES notation for methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate?
The canonical SMILES for methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate is COC(=O)C(N)CCOc1ccc(N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate?
The InChIKey is GKXWYGXZGRSTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-20(25)19(21)8-15-27-18-4-2-16(3-5-18)23-11-13-24(14-12-23)17-6-9-22-10-7-17/h2-7,9-10,19H,8,11-15,21H2,1H3.
What are the key properties of methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate?
methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate has a molecular weight of 370.45 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate is sourced from PubChem (CID 18918214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).