2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid

C15H23N3O3 — CID 79612728

IUPAC2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid
SMILESCc1cc(C)n(CCC(=O)N2CCC(CC(=O)O)CC2)n1
InChIInChI=1S/C15H23N3O3/c1-11-9-12(2)18(16-11)8-5-14(19)17-6-3-13(4-7-17)10-15(20)21/h9,13H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyZMDYDXQXKJGRTK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.60
Rot. Bonds5

About 2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid

2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid (PubChem CID 79612728) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid
PubChem CID79612728
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid
SMILESCc1cc(C)n(CCC(=O)N2CCC(CC(=O)O)CC2)n1
InChIInChI=1S/C15H23N3O3/c1-11-9-12(2)18(16-11)8-5-14(19)17-6-3-13(4-7-17)10-15(20)21/h9,13H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyZMDYDXQXKJGRTK-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid (CID 79612728) is 2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid is Cc1cc(C)n(CCC(=O)N2CCC(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid?
The InChIKey is ZMDYDXQXKJGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-9-12(2)18(16-11)8-5-14(19)17-6-3-13(4-7-17)10-15(20)21/h9,13H,3-8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid?
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79612728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).