1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone

C16H25N3O — CID 82248267

IUPAC1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone
SMILESCC1CNC(Cc2ccccc2)CN1C(=O)CN(C)C
InChIInChI=1S/C16H25N3O/c1-13-10-17-15(9-14-7-5-4-6-8-14)11-19(13)16(20)12-18(2)3/h4-8,13,15,17H,9-12H2,1-3H3
InChIKeyDYUPPJAXFWMTCS-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.98
Rot. Bonds4

About 1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone

1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone (PubChem CID 82248267) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone
PubChem CID82248267
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone
SMILESCC1CNC(Cc2ccccc2)CN1C(=O)CN(C)C
InChIInChI=1S/C16H25N3O/c1-13-10-17-15(9-14-7-5-4-6-8-14)11-19(13)16(20)12-18(2)3/h4-8,13,15,17H,9-12H2,1-3H3
InChIKeyDYUPPJAXFWMTCS-UHFFFAOYSA-N
XLogP0.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone (CID 82248267) is 1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone is CC1CNC(Cc2ccccc2)CN1C(=O)CN(C)C.
What is the InChIKey of 1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone?
The InChIKey is DYUPPJAXFWMTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-10-17-15(9-14-7-5-4-6-8-14)11-19(13)16(20)12-18(2)3/h4-8,13,15,17H,9-12H2,1-3H3.
What are the key properties of 1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone?
1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone has a molecular weight of 275.40 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 82248267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).