2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone

C14H25N3O2 — CID 18715067

IUPAC2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCCC(CC(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C14H25N3O2/c1-12(18)17-5-3-4-13(11-17)10-14(19)16-8-6-15(2)7-9-16/h13H,3-11H2,1-2H3
InChIKeyDJXRZGYPUNLGOG-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.41
Rot. Bonds2

About 2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 18715067) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID18715067
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCCC(CC(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C14H25N3O2/c1-12(18)17-5-3-4-13(11-17)10-14(19)16-8-6-15(2)7-9-16/h13H,3-11H2,1-2H3
InChIKeyDJXRZGYPUNLGOG-UHFFFAOYSA-N
XLogP0.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-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 2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 18715067) is 2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone is CC(=O)N1CCCC(CC(=O)N2CCN(C)CC2)C1.
What is the InChIKey of 2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is DJXRZGYPUNLGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-12(18)17-5-3-4-13(11-17)10-14(19)16-8-6-15(2)7-9-16/h13H,3-11H2,1-2H3.
What are the key properties of 2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 267.37 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 18715067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).