(4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one

C20H23ClN3O2S+ — CID 9119468

IUPAC(4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[NH+](Cc2cccs2)CC1
InChIInChI=1S/C20H22ClN3O2S/c21-17-5-1-2-6-18(17)24-13-15(12-19(24)25)20(26)23-9-7-22(8-10-23)14-16-4-3-11-27-16/h1-6,11,15H,7-10,12-14H2/p+1/t15-/m1/s1
InChIKeyANFZLVWAVUKPMD-OAHLLOKOSA-O
MW404.94 g/mol
LogP1.68
Rot. Bonds4

About (4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one

(4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one (PubChem CID 9119468) has the molecular formula C20H23ClN3O2S+ and a molecular weight of 404.94 g/mol. Its IUPAC name is (4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one
PubChem CID9119468
Molecular FormulaC20H23ClN3O2S+
Molecular Weight404.94 g/mol
Exact Mass404.12
IUPAC Name(4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[NH+](Cc2cccs2)CC1
InChIInChI=1S/C20H22ClN3O2S/c21-17-5-1-2-6-18(17)24-13-15(12-19(24)25)20(26)23-9-7-22(8-10-23)14-16-4-3-11-27-16/h1-6,11,15H,7-10,12-14H2/p+1/t15-/m1/s1
InChIKeyANFZLVWAVUKPMD-OAHLLOKOSA-O
XLogP1.68
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(2-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 84504102
1-(2-chlorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 112767128
1-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 32978569
1-(2-chlorophenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43045456
(3S)-1-[(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703341
4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one
CID 113191077
1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113191047
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 46557552
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
1-(2-chlorophenyl)-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 134045069
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one (CID 9119468) is (4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one is O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[NH+](Cc2cccs2)CC1.
What is the InChIKey of (4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ANFZLVWAVUKPMD-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H22ClN3O2S/c21-17-5-1-2-6-18(17)24-13-15(12-19(24)25)20(26)23-9-7-22(8-10-23)14-16-4-3-11-27-16/h1-6,11,15H,7-10,12-14H2/p+1/t15-/m1/s1.
What are the key properties of (4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one has a molecular weight of 404.94 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-chlorophenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9119468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).