2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid

C13H20N4O4 — CID 63876974

IUPAC2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H20N4O4/c1-9-10(7-15-16-9)6-14-13(20)17-4-2-11(3-5-17)21-8-12(18)19/h7,11H,2-6,8H2,1H3,(H,14,20)(H,15,16)(H,18,19)
InChIKeyMIIXHXNVHGBIAN-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.49
Rot. Bonds5

About 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63876974) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID63876974
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H20N4O4/c1-9-10(7-15-16-9)6-14-13(20)17-4-2-11(3-5-17)21-8-12(18)19/h7,11H,2-6,8H2,1H3,(H,14,20)(H,15,16)(H,18,19)
InChIKeyMIIXHXNVHGBIAN-UHFFFAOYSA-N
XLogP0.49
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid (CID 63876974) is 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid is Cc1[nH]ncc1CNC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is MIIXHXNVHGBIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-9-10(7-15-16-9)6-14-13(20)17-4-2-11(3-5-17)21-8-12(18)19/h7,11H,2-6,8H2,1H3,(H,14,20)(H,15,16)(H,18,19).
What are the key properties of 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 296.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63876974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).