2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate

C14H20N3O2- — CID 86647529

IUPAC2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate
SMILESCCC(C(=O)[O-])(c1ccccn1)N1CCN(C)CC1
InChIInChI=1S/C14H21N3O2/c1-3-14(13(18)19,12-6-4-5-7-15-12)17-10-8-16(2)9-11-17/h4-7H,3,8-11H2,1-2H3,(H,18,19)/p-1
InChIKeyYYJDAQOVQXGQFV-UHFFFAOYSA-M
MW262.33 g/mol
LogP-0.32
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate

2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate (PubChem CID 86647529) has the molecular formula C14H20N3O2- and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate
PubChem CID86647529
Molecular FormulaC14H20N3O2-
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate
SMILESCCC(C(=O)[O-])(c1ccccn1)N1CCN(C)CC1
InChIInChI=1S/C14H21N3O2/c1-3-14(13(18)19,12-6-4-5-7-15-12)17-10-8-16(2)9-11-17/h4-7H,3,8-11H2,1-2H3,(H,18,19)/p-1
InChIKeyYYJDAQOVQXGQFV-UHFFFAOYSA-M
XLogP-0.32
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate 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 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate
CID 59570548
ethane;1-methyl-4-(2-pyridin-2-ylpropan-2-yl)piperazine
CID 170762827
2-pyridin-2-yl-2-thiomorpholin-4-ylpentanamide
CID 129053504
4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide
CID 10315097
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
2-phenyl-2-pyrrolidin-1-ylbutanoic acid
CID 43803457
copper;bis(dipyridin-2-ylmethanediol);diacetate;tetrahydrate
CID 139065937
2-(1,1-difluoropropyl)pyridine
CID 59088790
2-(4-methylpiperazin-1-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108517044
benzoic acid;1,4-dimethylpiperazine
CID 166460840
2-(morpholin-4-ylmethyl)-2-pyridin-2-ylbutanamide
CID 129053349
2-(3-methyl-2-oxoimidazolidin-1-yl)-2-pyridin-2-ylpropanoic acid
CID 114996239

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate (CID 86647529) is 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate is CCC(C(=O)[O-])(c1ccccn1)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate?
The InChIKey is YYJDAQOVQXGQFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H21N3O2/c1-3-14(13(18)19,12-6-4-5-7-15-12)17-10-8-16(2)9-11-17/h4-7H,3,8-11H2,1-2H3,(H,18,19)/p-1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate?
2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate has a molecular weight of 262.33 g/mol, XLogP of -0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylbutanoate is sourced from PubChem (CID 86647529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).