6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid

C17H22N4O3 — CID 72854683

IUPAC6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCOCCn1ccnc1C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C17H22N4O3/c1-24-12-11-21-10-7-18-16(21)13-5-8-20(9-6-13)15-4-2-3-14(19-15)17(22)23/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H,22,23)
InChIKeyHXOSPNDRBJRRRQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.01
Rot. Bonds6

About 6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 72854683) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID72854683
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCOCCn1ccnc1C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C17H22N4O3/c1-24-12-11-21-10-7-18-16(21)13-5-8-20(9-6-13)15-4-2-3-14(19-15)17(22)23/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H,22,23)
InChIKeyHXOSPNDRBJRRRQ-UHFFFAOYSA-N
XLogP2.01
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 72854683) is 6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid is COCCn1ccnc1C1CCN(c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is HXOSPNDRBJRRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-24-12-11-21-10-7-18-16(21)13-5-8-20(9-6-13)15-4-2-3-14(19-15)17(22)23/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H,22,23).
What are the key properties of 6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72854683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).