N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

C19H26BrN3O4S — CID 55666215

IUPACN-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1cc(N2CC(C(=O)N3CCCC(CNS(C)(=O)=O)C3)CC2=O)ccc1Br
InChIInChI=1S/C19H26BrN3O4S/c1-13-8-16(5-6-17(13)20)23-12-15(9-18(23)24)19(25)22-7-3-4-14(11-22)10-21-28(2,26)27/h5-6,8,14-15,21H,3-4,7,9-12H2,1-2H3
InChIKeyJRCDXKRRFNZHKQ-UHFFFAOYSA-N
MW472.41 g/mol
LogP1.90
Rot. Bonds5

About N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 55666215) has the molecular formula C19H26BrN3O4S and a molecular weight of 472.41 g/mol. Its IUPAC name is N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID55666215
Molecular FormulaC19H26BrN3O4S
Molecular Weight472.41 g/mol
Exact Mass471.08
IUPAC NameN-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1cc(N2CC(C(=O)N3CCCC(CNS(C)(=O)=O)C3)CC2=O)ccc1Br
InChIInChI=1S/C19H26BrN3O4S/c1-13-8-16(5-6-17(13)20)23-12-15(9-18(23)24)19(25)22-7-3-4-14(11-22)10-21-28(2,26)27/h5-6,8,14-15,21H,3-4,7,9-12H2,1-2H3
InChIKeyJRCDXKRRFNZHKQ-UHFFFAOYSA-N
XLogP1.90
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

(4S)-1-(4-bromo-3-methylphenyl)-4-[(3S)-3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 124612979
1-(4-bromo-3-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119562198
1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110020269
1-(4-bromo-3-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113190401
N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 52632842
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
4-(azepane-1-carbonyl)-1-(3-bromo-4-methylphenyl)pyrrolidin-2-one
CID 113188098
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119395463
4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 90641553
4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119397198

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (CID 55666215) is N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is Cc1cc(N2CC(C(=O)N3CCCC(CNS(C)(=O)=O)C3)CC2=O)ccc1Br.
What is the InChIKey of N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is JRCDXKRRFNZHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O4S/c1-13-8-16(5-6-17(13)20)23-12-15(9-18(23)24)19(25)22-7-3-4-14(11-22)10-21-28(2,26)27/h5-6,8,14-15,21H,3-4,7,9-12H2,1-2H3.
What are the key properties of N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 472.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 55666215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).