(3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid

C15H17N3O3 — CID 119173997

IUPAC(3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)c2[nH]ncc2c1
InChIInChI=1S/C15H17N3O3/c1-9-5-11-7-16-17-13(11)12(6-9)14(19)18-4-2-3-10(8-18)15(20)21/h5-7,10H,2-4,8H2,1H3,(H,16,17)(H,20,21)/t10-/m0/s1
InChIKeyOAPSZERPKCZHGD-JTQLQIEISA-N
MW287.32 g/mol
LogP1.81
Rot. Bonds2

About (3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid (PubChem CID 119173997) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
PubChem CID119173997
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)c2[nH]ncc2c1
InChIInChI=1S/C15H17N3O3/c1-9-5-11-7-16-17-13(11)12(6-9)14(19)18-4-2-3-10(8-18)15(20)21/h5-7,10H,2-4,8H2,1H3,(H,16,17)(H,20,21)/t10-/m0/s1
InChIKeyOAPSZERPKCZHGD-JTQLQIEISA-N
XLogP1.81
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone
CID 166182991
5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 122118408
(2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone
CID 128716620
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 97069676
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 43355862
(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone
CID 128534632
(3S)-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119173783
[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 166249087
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920
(3S)-1-(2,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113499
(3S)-1-(2-chloro-4,5-dimethylbenzoyl)piperidine-3-carboxylic acid
CID 120514108

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid (CID 119173997) is (3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid is Cc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)c2[nH]ncc2c1.
What is the InChIKey of (3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is OAPSZERPKCZHGD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-5-11-7-16-17-13(11)12(6-9)14(19)18-4-2-3-10(8-18)15(20)21/h5-7,10H,2-4,8H2,1H3,(H,16,17)(H,20,21)/t10-/m0/s1.
What are the key properties of (3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119173997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).