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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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).