ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride

C17H25ClN2O4 — CID 141497195

IUPACethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(C)CC1c1ccc(C(C)=O)cc1OC.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-5-23-17(21)19-9-8-18(3)11-15(19)14-7-6-13(12(2)20)10-16(14)22-4;/h6-7,10,15H,5,8-9,11H2,1-4H3;1H
InChIKeyLLVQXWOKAZINHF-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.76
Rot. Bonds4

About ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride

ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride (PubChem CID 141497195) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride
PubChem CID141497195
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Nameethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(C)CC1c1ccc(C(C)=O)cc1OC.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-5-23-17(21)19-9-8-18(3)11-15(19)14-7-6-13(12(2)20)10-16(14)22-4;/h6-7,10,15H,5,8-9,11H2,1-4H3;1H
InChIKeyLLVQXWOKAZINHF-UHFFFAOYSA-N
XLogP2.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
benzyl (2S)-4-ethoxy-2-(4-ethoxycarbonyl-2-methoxyphenyl)piperidine-1-carboxylate
CID 164586237
1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992980
2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 55394267
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 2-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-2-oxoacetate
CID 117473286
ethyl 3-methoxy-4-[(4-methylpiperazin-1-yl)methoxy]benzoate
CID 139983317
ethyl 4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110368813
1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80504967
ethyl 4-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 46613529
(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533935

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride (CID 141497195) is ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride is CCOC(=O)N1CCN(C)CC1c1ccc(C(C)=O)cc1OC.Cl.
What is the InChIKey of ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride?
The InChIKey is LLVQXWOKAZINHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-5-23-17(21)19-9-8-18(3)11-15(19)14-7-6-13(12(2)20)10-16(14)22-4;/h6-7,10,15H,5,8-9,11H2,1-4H3;1H.
What are the key properties of ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride?
ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-acetyl-2-methoxyphenyl)-4-methylpiperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 141497195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).