N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

C20H25N3O4S — CID 55842424

IUPACN-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1cccc(-c2ccc(C(=O)N3CCCC(CNS(C)(=O)=O)C3)c(=O)[nH]2)c1
InChIInChI=1S/C20H25N3O4S/c1-14-5-3-7-16(11-14)18-9-8-17(19(24)22-18)20(25)23-10-4-6-15(13-23)12-21-28(2,26)27/h3,5,7-9,11,15,21H,4,6,10,12-13H2,1-2H3,(H,22,24)
InChIKeyFCWMXZMMDNQOLN-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.75
Rot. Bonds5

About N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 55842424) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID55842424
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1cccc(-c2ccc(C(=O)N3CCCC(CNS(C)(=O)=O)C3)c(=O)[nH]2)c1
InChIInChI=1S/C20H25N3O4S/c1-14-5-3-7-16(11-14)18-9-8-17(19(24)22-18)20(25)23-10-4-6-15(13-23)12-21-28(2,26)27/h3,5,7-9,11,15,21H,4,6,10,12-13H2,1-2H3,(H,22,24)
InChIKeyFCWMXZMMDNQOLN-UHFFFAOYSA-N
XLogP1.75
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
CID 119395633
N-[[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 55666010
3-[(3R)-3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 51586625
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119595143
N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51083128
4-[4-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839777
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554
3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55842753
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623
N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 71684875

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (CID 55842424) is N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is Cc1cccc(-c2ccc(C(=O)N3CCCC(CNS(C)(=O)=O)C3)c(=O)[nH]2)c1.
What is the InChIKey of N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is FCWMXZMMDNQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14-5-3-7-16(11-14)18-9-8-17(19(24)22-18)20(25)23-10-4-6-15(13-23)12-21-28(2,26)27/h3,5,7-9,11,15,21H,4,6,10,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 55842424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).