4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid

C21H22N4O3 — CID 18704757

IUPAC4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid
SMILESCOc1cccc(-c2nc(C3CCN(C(=O)O)CC3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C21H22N4O3/c1-28-17-4-2-3-16(13-17)19-18(14-5-9-22-10-6-14)23-20(24-19)15-7-11-25(12-8-15)21(26)27/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,23,24)(H,26,27)
InChIKeyZSQMUEWTVBGXJS-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.00
Rot. Bonds4

About 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid

4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 18704757) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid
PubChem CID18704757
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid
SMILESCOc1cccc(-c2nc(C3CCN(C(=O)O)CC3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C21H22N4O3/c1-28-17-4-2-3-16(13-17)19-18(14-5-9-22-10-6-14)23-20(24-19)15-7-11-25(12-8-15)21(26)27/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,23,24)(H,26,27)
InChIKeyZSQMUEWTVBGXJS-UHFFFAOYSA-N
XLogP4.00
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid (CID 18704757) is 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid is COc1cccc(-c2nc(C3CCN(C(=O)O)CC3)[nH]c2-c2ccncc2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is ZSQMUEWTVBGXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-17-4-2-3-16(13-17)19-18(14-5-9-22-10-6-14)23-20(24-19)15-7-11-25(12-8-15)21(26)27/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,23,24)(H,26,27).
What are the key properties of 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid?
4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 378.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 18704757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).