2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone

C12H23N3O — CID 91302387

IUPAC2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone
SMILESCN1CCC(CC(=O)C2CNCCN2)CC1
InChIInChI=1S/C12H23N3O/c1-15-6-2-10(3-7-15)8-12(16)11-9-13-4-5-14-11/h10-11,13-14H,2-9H2,1H3
InChIKeyUIJSTXUCKCUSSR-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.15
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone

2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone (PubChem CID 91302387) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone
PubChem CID91302387
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone
SMILESCN1CCC(CC(=O)C2CNCCN2)CC1
InChIInChI=1S/C12H23N3O/c1-15-6-2-10(3-7-15)8-12(16)11-9-13-4-5-14-11/h10-11,13-14H,2-9H2,1H3
InChIKeyUIJSTXUCKCUSSR-UHFFFAOYSA-N
XLogP-0.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone (CID 91302387) is 2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone is CN1CCC(CC(=O)C2CNCCN2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone?
The InChIKey is UIJSTXUCKCUSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-15-6-2-10(3-7-15)8-12(16)11-9-13-4-5-14-11/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone?
2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone has a molecular weight of 225.34 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1-piperazin-2-ylethanone is sourced from PubChem (CID 91302387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).