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

C15H23N3O3 — CID 43171071

IUPAC1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)17(3)16-10)7-8-14(19)18-9-5-4-6-13(18)15(20)21/h13H,4-9H2,1-3H3,(H,20,21)
InChIKeyHUWZMACKZFCRJS-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.44
Rot. Bonds4

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

1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 43171071) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
PubChem CID43171071
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)17(3)16-10)7-8-14(19)18-9-5-4-6-13(18)15(20)21/h13H,4-9H2,1-3H3,(H,20,21)
InChIKeyHUWZMACKZFCRJS-UHFFFAOYSA-N
XLogP1.44
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid (CID 43171071) is 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid is Cc1nn(C)c(C)c1CCC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is HUWZMACKZFCRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-12(11(2)17(3)16-10)7-8-14(19)18-9-5-4-6-13(18)15(20)21/h13H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid?
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43171071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).