3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid

C14H22N4O3 — CID 63758176

IUPAC3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid
SMILESCc1nn(C)c(N2CCCCC2CCC(=O)O)c1C(N)=O
InChIInChI=1S/C14H22N4O3/c1-9-12(13(15)21)14(17(2)16-9)18-8-4-3-5-10(18)6-7-11(19)20/h10H,3-8H2,1-2H3,(H2,15,21)(H,19,20)
InChIKeyRKAFJIVFRRJGTR-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.05
Rot. Bonds5

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

3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid (PubChem CID 63758176) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid
PubChem CID63758176
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid
SMILESCc1nn(C)c(N2CCCCC2CCC(=O)O)c1C(N)=O
InChIInChI=1S/C14H22N4O3/c1-9-12(13(15)21)14(17(2)16-9)18-8-4-3-5-10(18)6-7-11(19)20/h10H,3-8H2,1-2H3,(H2,15,21)(H,19,20)
InChIKeyRKAFJIVFRRJGTR-UHFFFAOYSA-N
XLogP1.05
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carbothioamide
CID 55242689
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid
CID 63756447
3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid
CID 62216139
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol
CID 116634087
3-[(2S)-1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 124677189
3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
3-[(2R)-1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]propanoic acid
CID 126450775
3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
CID 65267660
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
CID 62217146
2-[1,3-dimethyl-5-(2-propylpiperidin-1-yl)pyrazol-4-yl]ethanamine
CID 83057672
3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 136958739
[5-(2-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanol
CID 43266645

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid (CID 63758176) is 3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid is Cc1nn(C)c(N2CCCCC2CCC(=O)O)c1C(N)=O.
What is the InChIKey of 3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid?
The InChIKey is RKAFJIVFRRJGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-12(13(15)21)14(17(2)16-9)18-8-4-3-5-10(18)6-7-11(19)20/h10H,3-8H2,1-2H3,(H2,15,21)(H,19,20).
What are the key properties of 3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid?
3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 63758176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).