2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid

C13H20N4O3 — CID 79605623

IUPAC2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
SMILESCn1nccc1CNC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H20N4O3/c1-16-11(2-5-15-16)9-14-13(20)17-6-3-10(4-7-17)8-12(18)19/h2,5,10H,3-4,6-9H2,1H3,(H,14,20)(H,18,19)
InChIKeyIAIXRVZDRLSYST-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.82
Rot. Bonds4

About 2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid

2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79605623) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
PubChem CID79605623
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
SMILESCn1nccc1CNC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H20N4O3/c1-16-11(2-5-15-16)9-14-13(20)17-6-3-10(4-7-17)8-12(18)19/h2,5,10H,3-4,6-9H2,1H3,(H,14,20)(H,18,19)
InChIKeyIAIXRVZDRLSYST-UHFFFAOYSA-N
XLogP0.82
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid (CID 79605623) is 2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid is Cn1nccc1CNC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is IAIXRVZDRLSYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-16-11(2-5-15-16)9-14-13(20)17-6-3-10(4-7-17)8-12(18)19/h2,5,10H,3-4,6-9H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid?
2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79605623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).