(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone

C11H21N3O — CID 2760037

IUPAC(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
SMILESCN1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C11H21N3O/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10/h10,12H,2-9H2,1H3
InChIKeyGDHWXQQENDWPIY-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.24
Rot. Bonds1

About (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone

(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone (PubChem CID 2760037) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
PubChem CID2760037
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
SMILESCN1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C11H21N3O/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10/h10,12H,2-9H2,1H3
InChIKeyGDHWXQQENDWPIY-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone?
The IUPAC name of (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone (CID 2760037) is (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone is CN1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone?
The InChIKey is GDHWXQQENDWPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10/h10,12H,2-9H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone?
(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone has a molecular weight of 211.31 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 2760037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).