1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide

C13H22N4O3S — CID 19393601

IUPAC1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O3S/c1-9-12(10(2)16(3)15-9)14-13(18)11-5-7-17(8-6-11)21(4,19)20/h11H,5-8H2,1-4H3,(H,14,18)
InChIKeyAJQPPZKLOSXMMH-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.65
Rot. Bonds3

About 1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide

1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 19393601) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID19393601
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O3S/c1-9-12(10(2)16(3)15-9)14-13(18)11-5-7-17(8-6-11)21(4,19)20/h11H,5-8H2,1-4H3,(H,14,18)
InChIKeyAJQPPZKLOSXMMH-UHFFFAOYSA-N
XLogP0.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide (CID 19393601) is 1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide is Cc1nn(C)c(C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is AJQPPZKLOSXMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-9-12(10(2)16(3)15-9)14-13(18)11-5-7-17(8-6-11)21(4,19)20/h11H,5-8H2,1-4H3,(H,14,18).
What are the key properties of 1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 19393601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).