1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone

C12H19N3O — CID 70284796

IUPAC1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2=CCCC=N2)CC1
InChIInChI=1S/C12H19N3O/c1-11(16)15-8-6-14(7-9-15)10-12-4-2-3-5-13-12/h4-5H,2-3,6-10H2,1H3
InChIKeyMAFNKEOYPODLKP-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.90
Rot. Bonds2

About 1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone

1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 70284796) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone
PubChem CID70284796
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2=CCCC=N2)CC1
InChIInChI=1S/C12H19N3O/c1-11(16)15-8-6-14(7-9-15)10-12-4-2-3-5-13-12/h4-5H,2-3,6-10H2,1H3
InChIKeyMAFNKEOYPODLKP-UHFFFAOYSA-N
XLogP0.90
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone (CID 70284796) is 1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC2=CCCC=N2)CC1.
What is the InChIKey of 1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is MAFNKEOYPODLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-11(16)15-8-6-14(7-9-15)10-12-4-2-3-5-13-12/h4-5H,2-3,6-10H2,1H3.
What are the key properties of 1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone?
1-[4-(3,4-dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 221.30 g/mol, XLogP of 0.90, 2 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-6-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 70284796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).