2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone

C16H26N4O — CID 62890165

IUPAC2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
SMILESCN(C)CCN1CCN(C(=O)CNc2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c1-18(2)8-9-19-10-12-20(13-11-19)16(21)14-17-15-6-4-3-5-7-15/h3-7,17H,8-14H2,1-2H3
InChIKeyFCWDGTMFKRTCEV-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.80
Rot. Bonds6

About 2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone

2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone (PubChem CID 62890165) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
PubChem CID62890165
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
SMILESCN(C)CCN1CCN(C(=O)CNc2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c1-18(2)8-9-19-10-12-20(13-11-19)16(21)14-17-15-6-4-3-5-7-15/h3-7,17H,8-14H2,1-2H3
InChIKeyFCWDGTMFKRTCEV-UHFFFAOYSA-N
XLogP0.80
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113073570
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843992
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone
CID 68841046
2-(4-acetylanilino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002057
1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 109002032
4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105696
1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone
CID 108996192
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62935451
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone
CID 62890118

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone (CID 62890165) is 2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone is CN(C)CCN1CCN(C(=O)CNc2ccccc2)CC1.
What is the InChIKey of 2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone?
The InChIKey is FCWDGTMFKRTCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18(2)8-9-19-10-12-20(13-11-19)16(21)14-17-15-6-4-3-5-7-15/h3-7,17H,8-14H2,1-2H3.
What are the key properties of 2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone?
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 62890165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).