1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one

C23H27Cl2N3O — CID 22343601

IUPAC1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one
SMILESCC(c1ccccc1N1CCN(C)CC1)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C23H27Cl2N3O/c1-16(18-5-3-4-6-22(18)27-13-11-26(2)12-14-27)19-9-10-28(23(19)29)17-7-8-20(24)21(25)15-17/h3-8,15-16,19H,9-14H2,1-2H3
InChIKeyQBBCIKRQOAXBOA-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.90
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one

1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one (PubChem CID 22343601) has the molecular formula C23H27Cl2N3O and a molecular weight of 432.40 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one
PubChem CID22343601
Molecular FormulaC23H27Cl2N3O
Molecular Weight432.40 g/mol
Exact Mass431.15
IUPAC Name1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one
SMILESCC(c1ccccc1N1CCN(C)CC1)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C23H27Cl2N3O/c1-16(18-5-3-4-6-22(18)27-13-11-26(2)12-14-27)19-9-10-28(23(19)29)17-7-8-20(24)21(25)15-17/h3-8,15-16,19H,9-14H2,1-2H3
InChIKeyQBBCIKRQOAXBOA-UHFFFAOYSA-N
XLogP4.90
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)-2-[hydroxy-[2-(4-methylpiperazin-1-yl)phenyl]methyl]morpholin-3-one
CID 22346562
4-(3,4-dichlorophenyl)-2-[hydroxy-[2-(4-methylpiperazin-1-yl)phenyl]methyl]thiomorpholin-3-one
CID 22346498
4-(3,4-dichlorophenyl)-2-hydroxy-2-[hydroxy-[2-(4-methylpiperazin-1-yl)phenyl]methyl]thiomorpholin-3-one
CID 11634402
3,4-dichloro-N-[3-[2-(4-methylpiperazin-1-yl)phenyl]butan-2-yl]benzamide
CID 18425361
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
4-[(3,4-dichlorophenyl)methyl]-2-[hydroxy-[2-(4-methylpiperazin-1-yl)phenyl]methyl]thiomorpholin-3-one
CID 22346533
(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939148
4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholine-3,5-dione
CID 54074424
(3S)-3-[[2-(4-(111C)methylpiperazin-1-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one;yttrium
CID 59782591
1-(3,4-dichlorophenyl)-4-methyl-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]piperazine-2-carbaldehyde
CID 174369317
1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 50941460
3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 22343561

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one (CID 22343601) is 1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one is CC(c1ccccc1N1CCN(C)CC1)C1CCN(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one?
The InChIKey is QBBCIKRQOAXBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O/c1-16(18-5-3-4-6-22(18)27-13-11-26(2)12-14-27)19-9-10-28(23(19)29)17-7-8-20(24)21(25)15-17/h3-8,15-16,19H,9-14H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one?
1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one has a molecular weight of 432.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 22343601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).