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

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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).