ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate

C15H23N3O2 — CID 59570548

IUPACethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(C)(c1ccccn1)N1CCN(C)CC1
InChIInChI=1S/C15H23N3O2/c1-4-20-14(19)15(2,13-7-5-6-8-16-13)18-11-9-17(3)10-12-18/h5-8H,4,9-12H2,1-3H3
InChIKeyOREKEPGUKZDWRH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.11
Rot. Bonds4

About ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate

ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate (PubChem CID 59570548) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate
PubChem CID59570548
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(C)(c1ccccn1)N1CCN(C)CC1
InChIInChI=1S/C15H23N3O2/c1-4-20-14(19)15(2,13-7-5-6-8-16-13)18-11-9-17(3)10-12-18/h5-8H,4,9-12H2,1-3H3
InChIKeyOREKEPGUKZDWRH-UHFFFAOYSA-N
XLogP1.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate (CID 59570548) is ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate is CCOC(=O)C(C)(c1ccccn1)N1CCN(C)CC1.
What is the InChIKey of ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate?
The InChIKey is OREKEPGUKZDWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-20-14(19)15(2,13-7-5-6-8-16-13)18-11-9-17(3)10-12-18/h5-8H,4,9-12H2,1-3H3.
What are the key properties of ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate?
ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate has a molecular weight of 277.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate is sourced from PubChem (CID 59570548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).