N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

C13H22N4O3S — CID 19583491

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H22N4O3S/c1-10-12(8-16(2)15-10)7-14-13(18)11-5-4-6-17(9-11)21(3,19)20/h8,11H,4-7,9H2,1-3H3,(H,14,18)
InChIKeyMDQJXOOIUWYING-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.02
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 19583491) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID19583491
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H22N4O3S/c1-10-12(8-16(2)15-10)7-14-13(18)11-5-4-6-17(9-11)21(3,19)20/h8,11H,4-7,9H2,1-3H3,(H,14,18)
InChIKeyMDQJXOOIUWYING-UHFFFAOYSA-N
XLogP0.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 17022877
N-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 19584299
N-[3-(5-methylpyrazolyl)propyl][1-(methylsulfonyl)(4-piperidyl)]carboxamide
CID 19584324
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 47030010
1-(methylsulfonyl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)piperidine-4-carboxamide
CID 71808038
1,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazole-4-carboxamide
CID 45808902
(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 51388671
(3S)-N-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51388821
(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 164631667
(3S)-N-(cyclopropylmethyl)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-fluoropiperidine-3-carboxamide
CID 164635298
N'~3~-[(5-Fluoro-1,3-dimethyl-1H-pyrazol-4-YL)methylene]-1-(methylsulfonyl)-3-piperidinecarbohydrazide
CID 119055900

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 19583491) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is Cc1nn(C)cc1CNC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is MDQJXOOIUWYING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-10-12(8-16(2)15-10)7-14-13(18)11-5-4-6-17(9-11)21(3,19)20/h8,11H,4-7,9H2,1-3H3,(H,14,18).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 19583491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).