1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid

C15H23N3O3 — CID 119175927

IUPAC1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-9(13-10(2)16-17(4)11(13)3)14(19)18-8-6-5-7-12(18)15(20)21/h9,12H,5-8H2,1-4H3,(H,20,21)
InChIKeyBJDFBORNYDUALY-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.61
Rot. Bonds3

About 1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid

1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 119175927) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
PubChem CID119175927
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-9(13-10(2)16-17(4)11(13)3)14(19)18-8-6-5-7-12(18)15(20)21/h9,12H,5-8H2,1-4H3,(H,20,21)
InChIKeyBJDFBORNYDUALY-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372128
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94820032
4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 119216253
(2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 97323918
(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370543
1-[3-(methylamino)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 119488745
(2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
CID 103953818
(2R)-1-(2-cyclopropylpropanoyl)piperidine-2-carboxylic acid
CID 83146744
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99639784

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid (CID 119175927) is 1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid is Cc1nn(C)c(C)c1C(C)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is BJDFBORNYDUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(13-10(2)16-17(4)11(13)3)14(19)18-8-6-5-7-12(18)15(20)21/h9,12H,5-8H2,1-4H3,(H,20,21).
What are the key properties of 1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid?
1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119175927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).