1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one

C17H23N3O4S — CID 91837974

IUPAC1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)CN2CC(c3ccccc3)CC2=O)CC1
InChIInChI=1S/C17H23N3O4S/c1-25(23,24)20-9-7-18(8-10-20)17(22)13-19-12-15(11-16(19)21)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyXRGJFLVQFSIPGV-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.11
Rot. Bonds4

About 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one

1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one (PubChem CID 91837974) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
PubChem CID91837974
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)CN2CC(c3ccccc3)CC2=O)CC1
InChIInChI=1S/C17H23N3O4S/c1-25(23,24)20-9-7-18(8-10-20)17(22)13-19-12-15(11-16(19)21)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyXRGJFLVQFSIPGV-UHFFFAOYSA-N
XLogP0.11
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 124854698
2-methyl-9-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97278874
1-[2-oxo-2-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-4-phenylpyrrolidin-2-one
CID 45220276
4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 23039534
2-methyl-8-[2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 124851812
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
(4S)-1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97281698
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)pyrrolidin-2-one;but-2-enedioic acid
CID 70359716
(4S)-1-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97271353
(4R)-1-[2-[3-(2-chlorophenoxy)azetidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97274809
(4S)-1-[2-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
CID 97281022

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one (CID 91837974) is 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one is CS(=O)(=O)N1CCN(C(=O)CN2CC(c3ccccc3)CC2=O)CC1.
What is the InChIKey of 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The InChIKey is XRGJFLVQFSIPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-25(23,24)20-9-7-18(8-10-20)17(22)13-19-12-15(11-16(19)21)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3.
What are the key properties of 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one?
1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one has a molecular weight of 365.46 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 91837974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).