3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C24H35ClN4O3 — CID 45200208

IUPAC3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC(C)[C@H]1CN(C)CCN1C(=O)CC1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O
InChIInChI=1S/C24H35ClN4O3/c1-17(2)20-16-27(5)11-13-28(20)21(30)14-24(18-8-6-7-9-19(18)25)15-22(31)29(23(24)32)12-10-26(3)4/h6-9,17,20H,10-16H2,1-5H3/t20-,24?/m1/s1
InChIKeyKSMIVCAOHRIJQF-CGHJUBPDSA-N
MW463.02 g/mol
LogP2.09
Rot. Bonds7

About 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 45200208) has the molecular formula C24H35ClN4O3 and a molecular weight of 463.02 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID45200208
Molecular FormulaC24H35ClN4O3
Molecular Weight463.02 g/mol
Exact Mass462.24
IUPAC Name3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC(C)[C@H]1CN(C)CCN1C(=O)CC1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O
InChIInChI=1S/C24H35ClN4O3/c1-17(2)20-16-27(5)11-13-28(20)21(30)14-24(18-8-6-7-9-19(18)25)15-22(31)29(23(24)32)12-10-26(3)4/h6-9,17,20H,10-16H2,1-5H3/t20-,24?/m1/s1
InChIKeyKSMIVCAOHRIJQF-CGHJUBPDSA-N
XLogP2.09
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.02
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 45200208) is 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is CC(C)[C@H]1CN(C)CCN1C(=O)CC1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O.
What is the InChIKey of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is KSMIVCAOHRIJQF-CGHJUBPDSA-N. The full InChI is InChI=1S/C24H35ClN4O3/c1-17(2)20-16-27(5)11-13-28(20)21(30)14-24(18-8-6-7-9-19(18)25)15-22(31)29(23(24)32)12-10-26(3)4/h6-9,17,20H,10-16H2,1-5H3/t20-,24?/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 463.02 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45200208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).