3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid

C14H22N4O3 — CID 82873510

IUPAC3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
SMILESCn1ccc(CNC(=O)N2CCC(CCC(=O)O)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-17-7-6-12(16-17)10-15-14(21)18-8-4-11(5-9-18)2-3-13(19)20/h6-7,11H,2-5,8-10H2,1H3,(H,15,21)(H,19,20)
InChIKeyKNNXARFLSSNYMD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.21
Rot. Bonds5

About 3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid

3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid (PubChem CID 82873510) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
PubChem CID82873510
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
SMILESCn1ccc(CNC(=O)N2CCC(CCC(=O)O)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-17-7-6-12(16-17)10-15-14(21)18-8-4-11(5-9-18)2-3-13(19)20/h6-7,11H,2-5,8-10H2,1H3,(H,15,21)(H,19,20)
InChIKeyKNNXARFLSSNYMD-UHFFFAOYSA-N
XLogP1.21
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid (CID 82873510) is 3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid is Cn1ccc(CNC(=O)N2CCC(CCC(=O)O)CC2)n1.
What is the InChIKey of 3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid?
The InChIKey is KNNXARFLSSNYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17-7-6-12(16-17)10-15-14(21)18-8-4-11(5-9-18)2-3-13(19)20/h6-7,11H,2-5,8-10H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid?
3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 82873510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).