2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

C18H28N4O — CID 171387000

IUPAC2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCN(C)C(c3ccccc3)C2)CC1
InChIInChI=1S/C18H28N4O/c1-19-8-12-22(13-9-19)18(23)15-21-11-10-20(2)17(14-21)16-6-4-3-5-7-16/h3-7,17H,8-15H2,1-2H3
InChIKeyQANPTDWNIIEPTQ-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.75
Rot. Bonds3

About 2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 171387000) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID171387000
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCN(C)C(c3ccccc3)C2)CC1
InChIInChI=1S/C18H28N4O/c1-19-8-12-22(13-9-19)18(23)15-21-11-10-20(2)17(14-21)16-6-4-3-5-7-16/h3-7,17H,8-15H2,1-2H3
InChIKeyQANPTDWNIIEPTQ-UHFFFAOYSA-N
XLogP0.75
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 171688367
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124964953
3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124988091
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 69478677
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416820

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 171387000) is 2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN2CCN(C)C(c3ccccc3)C2)CC1.
What is the InChIKey of 2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is QANPTDWNIIEPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-19-8-12-22(13-9-19)18(23)15-21-11-10-20(2)17(14-21)16-6-4-3-5-7-16/h3-7,17H,8-15H2,1-2H3.
What are the key properties of 2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 316.45 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 171387000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).