methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate

C14H25N3O2 — CID 69073776

IUPACmethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCN(CCN2CCN(C)CC2)C1
InChIInChI=1S/C14H25N3O2/c1-15-6-8-16(9-7-15)10-11-17-5-3-4-13(12-17)14(18)19-2/h4H,3,5-12H2,1-2H3
InChIKeyRIECQTBGPZCNAT-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.04
Rot. Bonds4

About methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 69073776) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID69073776
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Namemethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCN(CCN2CCN(C)CC2)C1
InChIInChI=1S/C14H25N3O2/c1-15-6-8-16(9-7-15)10-11-17-5-3-4-13(12-17)14(18)19-2/h4H,3,5-12H2,1-2H3
InChIKeyRIECQTBGPZCNAT-UHFFFAOYSA-N
XLogP0.04
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate 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 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate (CID 69073776) is methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=CCCN(CCN2CCN(C)CC2)C1.
What is the InChIKey of methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is RIECQTBGPZCNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-15-6-8-16(9-7-15)10-11-17-5-3-4-13(12-17)14(18)19-2/h4H,3,5-12H2,1-2H3.
What are the key properties of methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 69073776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).