2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone

C20H36N4O2 — CID 3226817

IUPAC2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
SMILESCC1CCCCN1CC(=O)N1CCN(C(=O)CN2CCCCC2C)CC1
InChIInChI=1S/C20H36N4O2/c1-17-7-3-5-9-23(17)15-19(25)21-11-13-22(14-12-21)20(26)16-24-10-6-4-8-18(24)2/h17-18H,3-16H2,1-2H3
InChIKeyURXLDHINOKWZPK-UHFFFAOYSA-N
MW364.53 g/mol
LogP1.41
Rot. Bonds4

About 2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone

2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone (PubChem CID 3226817) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
PubChem CID3226817
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
SMILESCC1CCCCN1CC(=O)N1CCN(C(=O)CN2CCCCC2C)CC1
InChIInChI=1S/C20H36N4O2/c1-17-7-3-5-9-23(17)15-19(25)21-11-13-22(14-12-21)20(26)16-24-10-6-4-8-18(24)2/h17-18H,3-16H2,1-2H3
InChIKeyURXLDHINOKWZPK-UHFFFAOYSA-N
XLogP1.41
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]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 2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone (CID 3226817) is 2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone is CC1CCCCN1CC(=O)N1CCN(C(=O)CN2CCCCC2C)CC1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone?
The InChIKey is URXLDHINOKWZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-17-7-3-5-9-23(17)15-19(25)21-11-13-22(14-12-21)20(26)16-24-10-6-4-8-18(24)2/h17-18H,3-16H2,1-2H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone?
2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone has a molecular weight of 364.53 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 3226817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).