2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone

C14H21N3O2 — CID 119577129

IUPAC2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1NCC(=O)N1CCNC(C)C1
InChIInChI=1S/C14H21N3O2/c1-11-10-17(8-7-15-11)14(18)9-16-12-5-3-4-6-13(12)19-2/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyNIUAYGTZBXOLFM-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.93
Rot. Bonds4

About 2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone

2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone (PubChem CID 119577129) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
PubChem CID119577129
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1NCC(=O)N1CCNC(C)C1
InChIInChI=1S/C14H21N3O2/c1-11-10-17(8-7-15-11)14(18)9-16-12-5-3-4-6-13(12)19-2/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyNIUAYGTZBXOLFM-UHFFFAOYSA-N
XLogP0.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 119579172
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
CID 119373605
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
N-(2-methoxyphenyl)-4-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119580119
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone
CID 119644996
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427817

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone (CID 119577129) is 2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone is COc1ccccc1NCC(=O)N1CCNC(C)C1.
What is the InChIKey of 2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone?
The InChIKey is NIUAYGTZBXOLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-10-17(8-7-15-11)14(18)9-16-12-5-3-4-6-13(12)19-2/h3-6,11,15-16H,7-10H2,1-2H3.
What are the key properties of 2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone?
2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 119577129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).