2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone

C20H36N4O2 — CID 3226820

IUPAC2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
SMILESCC1CCCN(CC(=O)N2CCN(C(=O)CN3CCCC(C)C3)CC2)C1
InChIInChI=1S/C20H36N4O2/c1-17-5-3-7-21(13-17)15-19(25)23-9-11-24(12-10-23)20(26)16-22-8-4-6-18(2)14-22/h17-18H,3-16H2,1-2H3
InChIKeyPXZFTQIYTKXVSW-UHFFFAOYSA-N
MW364.53 g/mol
LogP1.12
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone

2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone (PubChem CID 3226820) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
PubChem CID3226820
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
SMILESCC1CCCN(CC(=O)N2CCN(C(=O)CN3CCCC(C)C3)CC2)C1
InChIInChI=1S/C20H36N4O2/c1-17-5-3-7-21(13-17)15-19(25)23-9-11-24(12-10-23)20(26)16-22-8-4-6-18(2)14-22/h17-18H,3-16H2,1-2H3
InChIKeyPXZFTQIYTKXVSW-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone (CID 3226820) is 2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone is CC1CCCN(CC(=O)N2CCN(C(=O)CN3CCCC(C)C3)CC2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone?
The InChIKey is PXZFTQIYTKXVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-17-5-3-7-21(13-17)15-19(25)23-9-11-24(12-10-23)20(26)16-22-8-4-6-18(2)14-22/h17-18H,3-16H2,1-2H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone?
2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone has a molecular weight of 364.53 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 3226820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).