1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone

C15H20ClN3O3 — CID 134369108

IUPAC1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2cc(C)c(Cl)cc2O)CC1
InChIInChI=1S/C15H20ClN3O3/c1-10-7-13(14(21)8-12(10)16)17-9-15(22)19-5-3-18(4-6-19)11(2)20/h7-8,17,21H,3-6,9H2,1-2H3
InChIKeyHZOJUILYYDPFTL-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.46
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone

1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone (PubChem CID 134369108) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone
PubChem CID134369108
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2cc(C)c(Cl)cc2O)CC1
InChIInChI=1S/C15H20ClN3O3/c1-10-7-13(14(21)8-12(10)16)17-9-15(22)19-5-3-18(4-6-19)11(2)20/h7-8,17,21H,3-6,9H2,1-2H3
InChIKeyHZOJUILYYDPFTL-UHFFFAOYSA-N
XLogP1.46
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-[2-(4-chloro-2-hydroxy-5-methylanilino)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 86279885
N-[1-[2-(4-chloro-2-hydroxy-5-methylanilino)acetyl]piperidin-4-yl]prop-2-enamide;ethane
CID 142573040
1-[4-(azetidin-3-yl)piperazin-1-yl]-2-(4,5-dichloro-2-hydroxyanilino)ethanone;hydrochloride
CID 131734446
1-(4-acetylpiperazin-1-yl)-3-(4-chloro-2-methoxy-5-methylanilino)propan-1-one
CID 109018258
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide
CID 60536680
1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
CID 108996155
1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone
CID 33163268
2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995630
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone (CID 134369108) is 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone is CC(=O)N1CCN(C(=O)CNc2cc(C)c(Cl)cc2O)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone?
The InChIKey is HZOJUILYYDPFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-10-7-13(14(21)8-12(10)16)17-9-15(22)19-5-3-18(4-6-19)11(2)20/h7-8,17,21H,3-6,9H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone has a molecular weight of 325.80 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone is sourced from PubChem (CID 134369108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).