4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid

C15H22N4O3 — CID 56882012

IUPAC4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C15H22N4O3/c1-12-10-16-19(11-12)15(13(20)21)4-8-18(9-5-15)14(22)17-6-2-3-7-17/h10-11H,2-9H2,1H3,(H,20,21)
InChIKeyHLBFIKTZJVBZGI-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.28
Rot. Bonds2

About 4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid

4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 56882012) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID56882012
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C15H22N4O3/c1-12-10-16-19(11-12)15(13(20)21)4-8-18(9-5-15)14(22)17-6-2-3-7-17/h10-11H,2-9H2,1H3,(H,20,21)
InChIKeyHLBFIKTZJVBZGI-UHFFFAOYSA-N
XLogP1.28
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid (CID 56882012) is 4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is HLBFIKTZJVBZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-12-10-16-19(11-12)15(13(20)21)4-8-18(9-5-15)14(22)17-6-2-3-7-17/h10-11H,2-9H2,1H3,(H,20,21).
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56882012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).