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

C17H20N4O4 — CID 56883763

IUPAC1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(C(=O)c3ncc(C)[nH]3)CC2)cn1
InChIInChI=1S/C17H20N4O4/c1-11-3-4-13(10-18-11)25-17(16(23)24)5-7-21(8-6-17)15(22)14-19-9-12(2)20-14/h3-4,9-10H,5-8H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyHHKIOFDLJWGVLM-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.56
Rot. Bonds4

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

1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (PubChem CID 56883763) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
PubChem CID56883763
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(C(=O)c3ncc(C)[nH]3)CC2)cn1
InChIInChI=1S/C17H20N4O4/c1-11-3-4-13(10-18-11)25-17(16(23)24)5-7-21(8-6-17)15(22)14-19-9-12(2)20-14/h3-4,9-10H,5-8H2,1-2H3,(H,19,20)(H,23,24)
InChIKeyHHKIOFDLJWGVLM-UHFFFAOYSA-N
XLogP1.56
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylfuran-3-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56908031
4-[(6-methyl-3-pyridinyl)oxy]-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 70777488
1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56915489
1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56916085
1-[2-(methylamino)pyrimidine-5-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 70773035
4-(3-methylphenoxy)-1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 56890009
4-(3-methylphenoxy)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 70711344
1-[(6-bromo-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid
CID 101461853
4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 56901351
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
(5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 77087187
(6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate
CID 58270753

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (CID 56883763) is 1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is Cc1ccc(OC2(C(=O)O)CCN(C(=O)c3ncc(C)[nH]3)CC2)cn1.
What is the InChIKey of 1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The InChIKey is HHKIOFDLJWGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11-3-4-13(10-18-11)25-17(16(23)24)5-7-21(8-6-17)15(22)14-19-9-12(2)20-14/h3-4,9-10H,5-8H2,1-2H3,(H,19,20)(H,23,24).
What are the key properties of 1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-imidazole-2-carbonyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is sourced from PubChem (CID 56883763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).