1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide

C11H18N4O3S — CID 54897406

IUPAC1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)15-5-3-2-4-10(15)11(16)12-6-9-7-13-14-8-9/h7-8,10H,2-6H2,1H3,(H,12,16)(H,13,14)
InChIKeyZOKIPNOWEUDJEC-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.16
Rot. Bonds4

About 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide

1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 54897406) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
PubChem CID54897406
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)15-5-3-2-4-10(15)11(16)12-6-9-7-13-14-8-9/h7-8,10H,2-6H2,1H3,(H,12,16)(H,13,14)
InChIKeyZOKIPNOWEUDJEC-UHFFFAOYSA-N
XLogP-0.16
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
CID 136586537
(2S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 31849994
(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 31850001
1-methylsulfonyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 43430687
N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 43629004
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 45813366
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 47267957
N-methyl-2-[4-(1H-pyrazol-4-ylsulfonylamino)piperidin-1-yl]acetamide
CID 47363928
2-(4-methylpyrazol-1-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47405076
N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide
CID 49149504
N-methyl-1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxamide
CID 54876827
N-[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methanesulfonamide
CID 54876861

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide (CID 54897406) is 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is ZOKIPNOWEUDJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-19(17,18)15-5-3-2-4-10(15)11(16)12-6-9-7-13-14-8-9/h7-8,10H,2-6H2,1H3,(H,12,16)(H,13,14).
What are the key properties of 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide?
1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 54897406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).