3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid

C14H22N4O3 — CID 62210475

IUPAC3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-10-12(9-16-17-10)8-15-14(21)18-6-4-11(5-7-18)2-3-13(19)20/h9,11H,2-8H2,1H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyZJXCXXDDGNTBAE-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.50
Rot. Bonds5

About 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid

3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid (PubChem CID 62210475) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
PubChem CID62210475
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-10-12(9-16-17-10)8-15-14(21)18-6-4-11(5-7-18)2-3-13(19)20/h9,11H,2-8H2,1H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyZJXCXXDDGNTBAE-UHFFFAOYSA-N
XLogP1.50
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876974
3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62210474
N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide
CID 112729713
3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
CID 82873510
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid
CID 81177584
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147373
4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 62047810
3-(methoxymethyl)-N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143459
3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61004286
3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62215903
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095591

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid (CID 62210475) is 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid is Cc1[nH]ncc1CNC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid?
The InChIKey is ZJXCXXDDGNTBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-12(9-16-17-10)8-15-14(21)18-6-4-11(5-7-18)2-3-13(19)20/h9,11H,2-8H2,1H3,(H,15,21)(H,16,17)(H,19,20).
What are the key properties of 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid?
3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62210475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).