1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

C14H25N3O — CID 70672436

IUPAC1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCCC1=CCN(C(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3O/c1-3-13-4-6-17(7-5-13)14(18)12-16-10-8-15(2)9-11-16/h4H,3,5-12H2,1-2H3
InChIKeyGUCLYOLMTALCRK-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.80
Rot. Bonds3

About 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 70672436) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID70672436
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCCC1=CCN(C(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C14H25N3O/c1-3-13-4-6-17(7-5-13)14(18)12-16-10-8-15(2)9-11-16/h4H,3,5-12H2,1-2H3
InChIKeyGUCLYOLMTALCRK-UHFFFAOYSA-N
XLogP0.80
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (CID 70672436) is 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is CCC1=CCN(C(=O)CN2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is GUCLYOLMTALCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-13-4-6-17(7-5-13)14(18)12-16-10-8-15(2)9-11-16/h4H,3,5-12H2,1-2H3.
What are the key properties of 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 251.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 70672436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).