6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid

C15H23N3O3 — CID 122112768

IUPAC6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC(C(=O)O)CCC2C)cnn1C(C)C
InChIInChI=1S/C15H23N3O3/c1-9(2)18-11(4)13(7-16-18)14(19)17-8-12(15(20)21)6-5-10(17)3/h7,9-10,12H,5-6,8H2,1-4H3,(H,20,21)
InChIKeyQKSOQSGPKCBKSB-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.10
Rot. Bonds3

About 6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid

6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122112768) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID122112768
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC(C(=O)O)CCC2C)cnn1C(C)C
InChIInChI=1S/C15H23N3O3/c1-9(2)18-11(4)13(7-16-18)14(19)17-8-12(15(20)21)6-5-10(17)3/h7,9-10,12H,5-6,8H2,1-4H3,(H,20,21)
InChIKeyQKSOQSGPKCBKSB-UHFFFAOYSA-N
XLogP2.10
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122112776
1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112886
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122083597
(5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 146680677
1-(5,6-dimethyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112700
1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
1-(2,6-dimethylpyrimidine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112968
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
1-(isoquinoline-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113249
6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122113554
(3R,6R)-1-[4-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 86729685

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid (CID 122112768) is 6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid is Cc1c(C(=O)N2CC(C(=O)O)CCC2C)cnn1C(C)C.
What is the InChIKey of 6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is QKSOQSGPKCBKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)18-11(4)13(7-16-18)14(19)17-8-12(15(20)21)6-5-10(17)3/h7,9-10,12H,5-6,8H2,1-4H3,(H,20,21).
What are the key properties of 6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122112768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).