N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide

C17H22N4O3S — CID 164699388

IUPACN-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
SMILESCN1CC(CN(c2cccc(-n3cccn3)c2)S(C)(=O)=O)CCC1=O
InChIInChI=1S/C17H22N4O3S/c1-19-12-14(7-8-17(19)22)13-21(25(2,23)24)16-6-3-5-15(11-16)20-10-4-9-18-20/h3-6,9-11,14H,7-8,12-13H2,1-2H3
InChIKeySCYPLASZIIDYRL-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.51
Rot. Bonds5

About N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide

N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide (PubChem CID 164699388) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
PubChem CID164699388
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
SMILESCN1CC(CN(c2cccc(-n3cccn3)c2)S(C)(=O)=O)CCC1=O
InChIInChI=1S/C17H22N4O3S/c1-19-12-14(7-8-17(19)22)13-21(25(2,23)24)16-6-3-5-15(11-16)20-10-4-9-18-20/h3-6,9-11,14H,7-8,12-13H2,1-2H3
InChIKeySCYPLASZIIDYRL-UHFFFAOYSA-N
XLogP1.51
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide?
The IUPAC name of N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide (CID 164699388) is N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide is CN1CC(CN(c2cccc(-n3cccn3)c2)S(C)(=O)=O)CCC1=O.
What is the InChIKey of N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide?
The InChIKey is SCYPLASZIIDYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-19-12-14(7-8-17(19)22)13-21(25(2,23)24)16-6-3-5-15(11-16)20-10-4-9-18-20/h3-6,9-11,14H,7-8,12-13H2,1-2H3.
What are the key properties of N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide?
N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-oxopiperidin-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 164699388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).