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1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid

C20H24N4O4 — CID 119236257

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C20H24N4O4/c1-22(14-17(25)23-12-8-16(9-13-23)20(27)28)19(26)18(24-11-5-10-21-24)15-6-3-2-4-7-15/h2-7,10-11,16,18H,8-9,12-14H2,1H3,(H,27,28)
InChIKeyMKJCYIYCGFSVHR-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.25
Rot. Bonds6

About 1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119236257) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID119236257
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C20H24N4O4/c1-22(14-17(25)23-12-8-16(9-13-23)20(27)28)19(26)18(24-11-5-10-21-24)15-6-3-2-4-7-15/h2-7,10-11,16,18H,8-9,12-14H2,1H3,(H,27,28)
InChIKeyMKJCYIYCGFSVHR-UHFFFAOYSA-N
XLogP1.25
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid (CID 119236257) is 1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)C(c1ccccc1)n1cccn1.
What is the InChIKey of 1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is MKJCYIYCGFSVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-22(14-17(25)23-12-8-16(9-13-23)20(27)28)19(26)18(24-11-5-10-21-24)15-6-3-2-4-7-15/h2-7,10-11,16,18H,8-9,12-14H2,1H3,(H,27,28).
What are the key properties of 1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119236257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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