1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid

C11H15N3O3 — CID 103510374

IUPAC1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCn1cncc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H15N3O3/c1-13-7-12-6-9(13)10(15)14-4-2-8(3-5-14)11(16)17/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyIUBIDWQAZLJAKY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.36
Rot. Bonds2

About 1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid

1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 103510374) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID103510374
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESCn1cncc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H15N3O3/c1-13-7-12-6-9(13)10(15)14-4-2-8(3-5-14)11(16)17/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyIUBIDWQAZLJAKY-UHFFFAOYSA-N
XLogP0.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 103511730
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
1-[4-(3-methylimidazole-4-carbonyl)piperidin-1-yl]ethanone
CID 86715621
[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125143151
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-(3-methylimidazol-4-yl)methanone
CID 155998373
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103511374
1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
[4-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125157063
[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510164
(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512264
4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 103511484

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid (CID 103510374) is 1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid is Cn1cncc1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is IUBIDWQAZLJAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-7-12-6-9(13)10(15)14-4-2-8(3-5-14)11(16)17/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid?
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 103510374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).