3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide

C16H26N4O — CID 91788298

IUPAC3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)CCN2CCN(C)CC2)nc1
InChIInChI=1S/C16H26N4O/c1-13-4-5-15(17-12-13)14(2)18-16(21)6-7-20-10-8-19(3)9-11-20/h4-5,12,14H,6-11H2,1-3H3,(H,18,21)
InChIKeyWASAYLIYKNJAOA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.20
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide

3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide (PubChem CID 91788298) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide
PubChem CID91788298
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)CCN2CCN(C)CC2)nc1
InChIInChI=1S/C16H26N4O/c1-13-4-5-15(17-12-13)14(2)18-16(21)6-7-20-10-8-19(3)9-11-20/h4-5,12,14H,6-11H2,1-3H3,(H,18,21)
InChIKeyWASAYLIYKNJAOA-UHFFFAOYSA-N
XLogP1.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide (CID 91788298) is 3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide is Cc1ccc(C(C)NC(=O)CCN2CCN(C)CC2)nc1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide?
The InChIKey is WASAYLIYKNJAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-4-5-15(17-12-13)14(2)18-16(21)6-7-20-10-8-19(3)9-11-20/h4-5,12,14H,6-11H2,1-3H3,(H,18,21).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide?
3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-[1-(5-methyl-2-pyridinyl)ethyl]propanamide is sourced from PubChem (CID 91788298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).