1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

C17H22ClN3O4S — CID 42653481

IUPAC1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(Cc3ccccc3Cl)C2)CC1
InChIInChI=1S/C17H22ClN3O4S/c1-26(24,25)21-8-6-19(7-9-21)17(23)14-10-16(22)20(12-14)11-13-4-2-3-5-15(13)18/h2-5,14H,6-12H2,1H3
InChIKeyFZVXJGSPKJOOCD-UHFFFAOYSA-N
MW399.90 g/mol
LogP0.79
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 42653481) has the molecular formula C17H22ClN3O4S and a molecular weight of 399.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID42653481
Molecular FormulaC17H22ClN3O4S
Molecular Weight399.90 g/mol
Exact Mass399.10
IUPAC Name1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(Cc3ccccc3Cl)C2)CC1
InChIInChI=1S/C17H22ClN3O4S/c1-26(24,25)21-8-6-19(7-9-21)17(23)14-10-16(22)20(12-14)11-13-4-2-3-5-15(13)18/h2-5,14H,6-12H2,1H3
InChIKeyFZVXJGSPKJOOCD-UHFFFAOYSA-N
XLogP0.79
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 25362673
4-[4-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 22110183
(4S)-4-(4-methylsulfonylpiperazine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 94149560
1-[(2-chlorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113183633
(4S)-1-[(2-chlorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 97311082
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 48597700
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559695
(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 29134624

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 42653481) is 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is CS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(Cc3ccccc3Cl)C2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is FZVXJGSPKJOOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4S/c1-26(24,25)21-8-6-19(7-9-21)17(23)14-10-16(22)20(12-14)11-13-4-2-3-5-15(13)18/h2-5,14H,6-12H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 399.90 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 42653481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).