3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone

C11H17N3O — CID 145233685

IUPAC3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CCCC=N2)CC1
InChIInChI=1S/C11H17N3O/c1-13-6-8-14(9-7-13)11(15)10-4-2-3-5-12-10/h4-5H,2-3,6-9H2,1H3
InChIKeyGEENXDSBYFDIGI-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.51
Rot. Bonds1

About 3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone

3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 145233685) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID145233685
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CCCC=N2)CC1
InChIInChI=1S/C11H17N3O/c1-13-6-8-14(9-7-13)11(15)10-4-2-3-5-12-10/h4-5H,2-3,6-9H2,1H3
InChIKeyGEENXDSBYFDIGI-UHFFFAOYSA-N
XLogP0.51
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone (CID 145233685) is 3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2=CCCC=N2)CC1.
What is the InChIKey of 3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GEENXDSBYFDIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-6-8-14(9-7-13)11(15)10-4-2-3-5-12-10/h4-5H,2-3,6-9H2,1H3.
What are the key properties of 3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone?
3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridin-6-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 145233685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).