methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate

C16H22N2O5 — CID 110803371

IUPACmethyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Cc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C16H22N2O5/c1-21-13-4-5-14(22-2)12(10-13)11-15(19)17-6-8-18(9-7-17)16(20)23-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyASWPHTAWSBPZTH-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.16
Rot. Bonds4

About methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate

methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate (PubChem CID 110803371) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
PubChem CID110803371
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namemethyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Cc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C16H22N2O5/c1-21-13-4-5-14(22-2)12(10-13)11-15(19)17-6-8-18(9-7-17)16(20)23-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyASWPHTAWSBPZTH-UHFFFAOYSA-N
XLogP1.16
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 110800516
2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98022284
ethyl 4-[2-(2,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809095
2-(2,5-dimethoxyphenyl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136524308
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 9452417
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 120658666
2-(2,4-dimethoxyphenyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 39948329
2-(2,5-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578268

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate (CID 110803371) is methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)Cc2cc(OC)ccc2OC)CC1.
What is the InChIKey of methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate?
The InChIKey is ASWPHTAWSBPZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-21-13-4-5-14(22-2)12(10-13)11-15(19)17-6-8-18(9-7-17)16(20)23-3/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate?
methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110803371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).