1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid

C11H13N3O5 — CID 112568032

IUPAC1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cnc[nH]2)CC1C(=O)O
InChIInChI=1S/C11H13N3O5/c15-9(8-3-12-5-13-8)14-2-1-6(10(16)17)7(4-14)11(18)19/h3,5-7H,1-2,4H2,(H,12,13)(H,16,17)(H,18,19)
InChIKeyAISATOKUKBZKMK-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.34
Rot. Bonds3

About 1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid

1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 112568032) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID112568032
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cnc[nH]2)CC1C(=O)O
InChIInChI=1S/C11H13N3O5/c15-9(8-3-12-5-13-8)14-2-1-6(10(16)17)7(4-14)11(18)19/h3,5-7H,1-2,4H2,(H,12,13)(H,16,17)(H,18,19)
InChIKeyAISATOKUKBZKMK-UHFFFAOYSA-N
XLogP-0.34
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 89293635
[(3R)-3-(aminomethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 129371649
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144377
1H-imidazol-5-yl-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144378
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568004
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918216
ethane;1H-imidazol-5-yl(piperidin-1-yl)methanone
CID 142344786
[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 42454203
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone
CID 167484753

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid (CID 112568032) is 1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid is O=C(O)C1CCN(C(=O)c2cnc[nH]2)CC1C(=O)O.
What is the InChIKey of 1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is AISATOKUKBZKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-9(8-3-12-5-13-8)14-2-1-6(10(16)17)7(4-14)11(18)19/h3,5-7H,1-2,4H2,(H,12,13)(H,16,17)(H,18,19).
What are the key properties of 1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 112568032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).