1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide

C13H22N4O3S — CID 30187287

IUPAC1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O3S/c1-10(2)17-12(4-7-14-17)15-13(18)11-5-8-16(9-6-11)21(3,19)20/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,15,18)
InChIKeyZWXPEVZDGCMATO-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.07
Rot. Bonds4

About 1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide

1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 30187287) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
PubChem CID30187287
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O3S/c1-10(2)17-12(4-7-14-17)15-13(18)11-5-8-16(9-6-11)21(3,19)20/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,15,18)
InChIKeyZWXPEVZDGCMATO-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methyl-1H-pyrazol-3-yl)-2-[(1R*,5R*)-3-(methylsulfonyl)-3,6-diazabicyclo[3.2.2]non-6-yl]acetamide
CID 133115383
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
N-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71805347
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681291
N-(1-methyl-1H-pyrazol-3-yl)-1-(methylsulfonyl)-3-piperidinecarboxamide
CID 19583362
3-methyl-N-{1-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45930241
N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 47025765
N-(1-methylpyrazol-3-yl)-2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
CID 70734976
2,2-dimethyl-N-{1-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 26395668
3-methyl-N-{1-[1-(3,3,3-trifluoropropanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 42378652
(2S,4S)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidine-4-carboxamide
CID 120639661
3-methyl-N-(1-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 25373971

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide (CID 30187287) is 1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide is CC(C)n1nccc1NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide?
The InChIKey is ZWXPEVZDGCMATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-10(2)17-12(4-7-14-17)15-13(18)11-5-8-16(9-6-11)21(3,19)20/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,15,18).
What are the key properties of 1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30187287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).