3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid

C14H22N4O3 — CID 62210474

IUPAC3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C14H22N4O3/c1-10-11(9-16-17-10)8-15-14(21)18-7-3-2-4-12(18)5-6-13(19)20/h9,12H,2-8H2,1H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyAHWIQCNFNSWYFL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.65
Rot. Bonds5

About 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid

3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 62210474) 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-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
PubChem CID62210474
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
SMILESCc1[nH]ncc1CNC(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C14H22N4O3/c1-10-11(9-16-17-10)8-15-14(21)18-7-3-2-4-12(18)5-6-13(19)20/h9,12H,2-8H2,1H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyAHWIQCNFNSWYFL-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid (CID 62210474) is 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid is Cc1[nH]ncc1CNC(=O)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is AHWIQCNFNSWYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-11(9-16-17-10)8-15-14(21)18-7-3-2-4-12(18)5-6-13(19)20/h9,12H,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-2-yl]propanoic acid?
3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.65, 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-2-yl]propanoic acid is sourced from PubChem (CID 62210474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).