2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone

C15H21N3O2 — CID 108995450

IUPAC2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)c1cccc(NCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H21N3O2/c1-12(19)13-4-3-5-14(10-13)16-11-15(20)18-8-6-17(2)7-9-18/h3-5,10,16H,6-9,11H2,1-2H3
InChIKeyDJQYSLJALWJEHR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.08
Rot. Bonds4

About 2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone

2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 108995450) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID108995450
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)c1cccc(NCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H21N3O2/c1-12(19)13-4-3-5-14(10-13)16-11-15(20)18-8-6-17(2)7-9-18/h3-5,10,16H,6-9,11H2,1-2H3
InChIKeyDJQYSLJALWJEHR-UHFFFAOYSA-N
XLogP1.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004798
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
1-[3-(2-methylprop-2-enylamino)phenyl]ethanone
CID 82096283
2-(4-fluoro-3-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 55117982
ethyl 4-[2-(3-acetamidoanilino)acetyl]piperazine-1-carboxylate
CID 109003894
3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750
2-(3,5-dichloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28515284
2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide
CID 32897161
methyl 4-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 108995454
2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 61470206

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone (CID 108995450) is 2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone is CC(=O)c1cccc(NCC(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is DJQYSLJALWJEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(19)13-4-3-5-14(10-13)16-11-15(20)18-8-6-17(2)7-9-18/h3-5,10,16H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone?
2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 275.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108995450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).