2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid

C18H21N3O6 — CID 72932490

IUPAC2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCN(C(=O)c3ccco3)CC2)c(OC)n1
InChIInChI=1S/C18H21N3O6/c1-25-14-6-5-12(16(19-14)26-2)15(18(23)24)20-7-9-21(10-8-20)17(22)13-4-3-11-27-13/h3-6,11,15H,7-10H2,1-2H3,(H,23,24)
InChIKeyKJNDLZNOIFARMY-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.28
Rot. Bonds6

About 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid

2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid (PubChem CID 72932490) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid
PubChem CID72932490
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCN(C(=O)c3ccco3)CC2)c(OC)n1
InChIInChI=1S/C18H21N3O6/c1-25-14-6-5-12(16(19-14)26-2)15(18(23)24)20-7-9-21(10-8-20)17(22)13-4-3-11-27-13/h3-6,11,15H,7-10H2,1-2H3,(H,23,24)
InChIKeyKJNDLZNOIFARMY-UHFFFAOYSA-N
XLogP1.28
TPSA105.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid with MolForge

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Related Compounds

furan-2-yl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883392
furan-2-yl-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 171690760
methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate
CID 43063623
(2R)-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-methylsulfanylphenyl)acetic acid
CID 97187491
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-methylsulfanylphenyl)acetic acid
CID 72841169
(2S)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(methylcarbamoyl)phenyl]acetic acid
CID 97197927
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085
furan-2-yl-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56810704

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid (CID 72932490) is 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid is COc1ccc(C(C(=O)O)N2CCN(C(=O)c3ccco3)CC2)c(OC)n1.
What is the InChIKey of 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid?
The InChIKey is KJNDLZNOIFARMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-25-14-6-5-12(16(19-14)26-2)15(18(23)24)20-7-9-21(10-8-20)17(22)13-4-3-11-27-13/h3-6,11,15H,7-10H2,1-2H3,(H,23,24).
What are the key properties of 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid?
2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid has a molecular weight of 375.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxy-3-pyridinyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 72932490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).