1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone

C11H17N3O — CID 70289087

IUPAC1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2C=NC=CC2)CC1
InChIInChI=1S/C11H17N3O/c1-10(15)13-5-7-14(8-6-13)11-3-2-4-12-9-11/h2,4,9,11H,3,5-8H2,1H3
InChIKeyGFPASYSMXWJHQV-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.51
Rot. Bonds1

About 1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone

1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone (PubChem CID 70289087) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone
PubChem CID70289087
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2C=NC=CC2)CC1
InChIInChI=1S/C11H17N3O/c1-10(15)13-5-7-14(8-6-13)11-3-2-4-12-9-11/h2,4,9,11H,3,5-8H2,1H3
InChIKeyGFPASYSMXWJHQV-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 1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone (CID 70289087) is 1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2C=NC=CC2)CC1.
What is the InChIKey of 1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is GFPASYSMXWJHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-10(15)13-5-7-14(8-6-13)11-3-2-4-12-9-11/h2,4,9,11H,3,5-8H2,1H3.
What are the key properties of 1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone?
1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone 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 1-[4-(3,4-dihydropyridin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 70289087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).