1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid

C15H17N3O3 — CID 103116391

IUPAC1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
SMILESCn1nc(C(=O)N2CCCCC2C(=O)O)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-17-11-7-3-2-6-10(11)13(16-17)14(19)18-9-5-4-8-12(18)15(20)21/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,20,21)
InChIKeyHLJCGEHTVYSTGC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.65
Rot. Bonds2

About 1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid

1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 103116391) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID103116391
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
SMILESCn1nc(C(=O)N2CCCCC2C(=O)O)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-17-11-7-3-2-6-10(11)13(16-17)14(19)18-9-5-4-8-12(18)15(20)21/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,20,21)
InChIKeyHLJCGEHTVYSTGC-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(chloromethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103122365
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
(2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 122111228
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 126892556
(1-methylindazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 87052010
1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102
(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370801
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694
2-[[1-(1-methylindazole-3-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923127

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid (CID 103116391) is 1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid is Cn1nc(C(=O)N2CCCCC2C(=O)O)c2ccccc21.
What is the InChIKey of 1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is HLJCGEHTVYSTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17-11-7-3-2-6-10(11)13(16-17)14(19)18-9-5-4-8-12(18)15(20)21/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,20,21).
What are the key properties of 1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid?
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 103116391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).