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

C20H29N3O4S — CID 52632842

IUPACN-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(CN2C[C@@H](C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)CC2=O)cc1
InChIInChI=1S/C20H29N3O4S/c1-15-5-7-16(8-6-15)12-23-14-18(10-19(23)24)20(25)22-9-3-4-17(13-22)11-21-28(2,26)27/h5-8,17-18,21H,3-4,9-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyFOHVJMYWQGOSPB-ROUUACIJSA-N
MW407.54 g/mol
LogP1.13
Rot. Bonds6

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

N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 52632842) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID52632842
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC NameN-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(CN2C[C@@H](C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)CC2=O)cc1
InChIInChI=1S/C20H29N3O4S/c1-15-5-7-16(8-6-15)12-23-14-18(10-19(23)24)20(25)22-9-3-4-17(13-22)11-21-28(2,26)27/h5-8,17-18,21H,3-4,9-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyFOHVJMYWQGOSPB-ROUUACIJSA-N
XLogP1.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(3-aminopiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 119379101
3-[(3S)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124697164
(3S)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697232
(3R)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697224
(4R)-4-[3-(hydroxymethyl)azetidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 97352310
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119645946
(4S)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 9145709
N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55666215
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 120816164
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 120816163
ethyl 1-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 46109609

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (CID 52632842) is N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is Cc1ccc(CN2C[C@@H](C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)CC2=O)cc1.
What is the InChIKey of N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is FOHVJMYWQGOSPB-ROUUACIJSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-15-5-7-16(8-6-15)12-23-14-18(10-19(23)24)20(25)22-9-3-4-17(13-22)11-21-28(2,26)27/h5-8,17-18,21H,3-4,9-14H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 52632842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).