1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C17H23N5O3 — CID 56895150

IUPAC1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)C(C)n3ccnc3C)CC2)c1
InChIInChI=1S/C17H23N5O3/c1-12-10-19-22(11-12)17(16(24)25)4-7-20(8-5-17)15(23)13(2)21-9-6-18-14(21)3/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,24,25)
InChIKeyKJUJUBJSGWEUFL-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.36
Rot. Bonds4

About 1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56895150) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56895150
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)C(C)n3ccnc3C)CC2)c1
InChIInChI=1S/C17H23N5O3/c1-12-10-19-22(11-12)17(16(24)25)4-7-20(8-5-17)15(23)13(2)21-9-6-18-14(21)3/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,24,25)
InChIKeyKJUJUBJSGWEUFL-UHFFFAOYSA-N
XLogP1.36
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56895150) is 1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)C(C)n3ccnc3C)CC2)c1.
What is the InChIKey of 1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is KJUJUBJSGWEUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-10-19-22(11-12)17(16(24)25)4-7-20(8-5-17)15(23)13(2)21-9-6-18-14(21)3/h6,9-11,13H,4-5,7-8H2,1-3H3,(H,24,25).
What are the key properties of 1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylimidazol-1-yl)propanoyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56895150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).