1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone

C14H23N3O — CID 173070939

IUPAC1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C14H23N3O/c1-15(2)12-14(18)17-10-8-16(9-11-17)13-6-4-3-5-7-13/h4,6-7H,3,5,8-12H2,1-2H3
InChIKeyGTZXBYDNOMKEPZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.93
Rot. Bonds3

About 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone

1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone (PubChem CID 173070939) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone
PubChem CID173070939
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C14H23N3O/c1-15(2)12-14(18)17-10-8-16(9-11-17)13-6-4-3-5-7-13/h4,6-7H,3,5,8-12H2,1-2H3
InChIKeyGTZXBYDNOMKEPZ-UHFFFAOYSA-N
XLogP0.93
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone (CID 173070939) is 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCN(C2=CCCC=C2)CC1.
What is the InChIKey of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone?
The InChIKey is GTZXBYDNOMKEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-15(2)12-14(18)17-10-8-16(9-11-17)13-6-4-3-5-7-13/h4,6-7H,3,5,8-12H2,1-2H3.
What are the key properties of 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone?
1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone has a molecular weight of 249.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexa-1,5-dien-1-ylpiperazin-1-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 173070939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).