1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

C19H22N2O5 — CID 56908031

IUPAC1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(C(=O)c3cc(C)oc3C)CC2)cn1
InChIInChI=1S/C19H22N2O5/c1-12-4-5-15(11-20-12)26-19(18(23)24)6-8-21(9-7-19)17(22)16-10-13(2)25-14(16)3/h4-5,10-11H,6-9H2,1-3H3,(H,23,24)
InChIKeyNROJGNJNDQASSS-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.74
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (PubChem CID 56908031) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
PubChem CID56908031
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(C(=O)c3cc(C)oc3C)CC2)cn1
InChIInChI=1S/C19H22N2O5/c1-12-4-5-15(11-20-12)26-19(18(23)24)6-8-21(9-7-19)17(22)16-10-13(2)25-14(16)3/h4-5,10-11H,6-9H2,1-3H3,(H,23,24)
InChIKeyNROJGNJNDQASSS-UHFFFAOYSA-N
XLogP2.74
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56883763
1-(2,5-dimethylfuran-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251953
1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56915489
4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 70777488
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56916085
(3,5-dimethoxyphenyl)-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32824162
4-(3-methylphenoxy)-1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 56890009
3-(2,5-dimethylfuran-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 86285979
1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 78086001
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (CID 56908031) is 1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3cc(C)oc3C)CC2)cn1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The InChIKey is NROJGNJNDQASSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12-4-5-15(11-20-12)26-19(18(23)24)6-8-21(9-7-19)17(22)16-10-13(2)25-14(16)3/h4-5,10-11H,6-9H2,1-3H3,(H,23,24).
What are the key properties of 1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is sourced from PubChem (CID 56908031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).