5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid

C18H22N2O4 — CID 20989921

IUPAC5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid
SMILESCOc1ccccc1N1CCN(C(C)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C18H22N2O4/c1-13(15-7-8-17(24-15)18(21)22)19-9-11-20(12-10-19)14-5-3-4-6-16(14)23-2/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyIZCMHYDGOLZVLP-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.87
Rot. Bonds5

About 5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid

5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid (PubChem CID 20989921) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid
PubChem CID20989921
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid
SMILESCOc1ccccc1N1CCN(C(C)c2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C18H22N2O4/c1-13(15-7-8-17(24-15)18(21)22)19-9-11-20(12-10-19)14-5-3-4-6-16(14)23-2/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyIZCMHYDGOLZVLP-UHFFFAOYSA-N
XLogP2.87
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 25346846
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine
CID 40514838
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027
azane;(E)-4-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-oxobut-2-enoic acid
CID 173292352
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
CID 62901603
N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide
CID 76883662

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid (CID 20989921) is 5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid is COc1ccccc1N1CCN(C(C)c2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid?
The InChIKey is IZCMHYDGOLZVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13(15-7-8-17(24-15)18(21)22)19-9-11-20(12-10-19)14-5-3-4-6-16(14)23-2/h3-8,13H,9-12H2,1-2H3,(H,21,22).
What are the key properties of 5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid?
5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 20989921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).