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

C11H21N3O — CID 69133646

IUPAC(1-methylpiperidin-4-yl)-piperazin-2-ylmethanone
SMILESCN1CCC(C(=O)C2CNCCN2)CC1
InChIInChI=1S/C11H21N3O/c1-14-6-2-9(3-7-14)11(15)10-8-12-4-5-13-10/h9-10,12-13H,2-8H2,1H3
InChIKeyPYMOWTSROAOXAC-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.54
Rot. Bonds2

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

(1-methylpiperidin-4-yl)-piperazin-2-ylmethanone (PubChem CID 69133646) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-piperazin-2-ylmethanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-piperazin-2-ylmethanone
PubChem CID69133646
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(1-methylpiperidin-4-yl)-piperazin-2-ylmethanone
SMILESCN1CCC(C(=O)C2CNCCN2)CC1
InChIInChI=1S/C11H21N3O/c1-14-6-2-9(3-7-14)11(15)10-8-12-4-5-13-10/h9-10,12-13H,2-8H2,1H3
InChIKeyPYMOWTSROAOXAC-UHFFFAOYSA-N
XLogP-0.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1-methylpiperidin-4-yl)-piperazin-2-ylmethanone 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-methylpiperidin-4-yl)-piperazin-2-ylmethanone?
The IUPAC name of (1-methylpiperidin-4-yl)-piperazin-2-ylmethanone (CID 69133646) is (1-methylpiperidin-4-yl)-piperazin-2-ylmethanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-piperazin-2-ylmethanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-piperazin-2-ylmethanone is CN1CCC(C(=O)C2CNCCN2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-piperazin-2-ylmethanone?
The InChIKey is PYMOWTSROAOXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14-6-2-9(3-7-14)11(15)10-8-12-4-5-13-10/h9-10,12-13H,2-8H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)-piperazin-2-ylmethanone?
(1-methylpiperidin-4-yl)-piperazin-2-ylmethanone has a molecular weight of 211.31 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-piperazin-2-ylmethanone is sourced from PubChem (CID 69133646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).