2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid

C14H21N3O3 — CID 19623477

IUPAC2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCC1CC(C)CN(C(=O)c2ccn(C(C)C(=O)O)n2)C1
InChIInChI=1S/C14H21N3O3/c1-9-6-10(2)8-16(7-9)13(18)12-4-5-17(15-12)11(3)14(19)20/h4-5,9-11H,6-8H2,1-3H3,(H,19,20)
InChIKeyQVKCCNFNLJGVQU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.65
Rot. Bonds3

About 2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid

2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid (PubChem CID 19623477) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
PubChem CID19623477
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCC1CC(C)CN(C(=O)c2ccn(C(C)C(=O)O)n2)C1
InChIInChI=1S/C14H21N3O3/c1-9-6-10(2)8-16(7-9)13(18)12-4-5-17(15-12)11(3)14(19)20/h4-5,9-11H,6-8H2,1-3H3,(H,19,20)
InChIKeyQVKCCNFNLJGVQU-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid (CID 19623477) is 2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid is CC1CC(C)CN(C(=O)c2ccn(C(C)C(=O)O)n2)C1.
What is the InChIKey of 2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The InChIKey is QVKCCNFNLJGVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-6-10(2)8-16(7-9)13(18)12-4-5-17(15-12)11(3)14(19)20/h4-5,9-11H,6-8H2,1-3H3,(H,19,20).
What are the key properties of 2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid?
2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).