1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one

C25H30Cl2N2O3 — CID 10254433

IUPAC1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one
SMILESCOc1ccc(C2(C)CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C25H30Cl2N2O3/c1-25(10-13-29(24(25)30)19-7-8-20(26)21(27)17-19)18-6-9-22(31-2)23(16-18)32-15-14-28-11-4-3-5-12-28/h6-9,16-17H,3-5,10-15H2,1-2H3
InChIKeyODINENOTSWRONR-UHFFFAOYSA-N
MW477.43 g/mol
LogP5.56
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one

1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one (PubChem CID 10254433) has the molecular formula C25H30Cl2N2O3 and a molecular weight of 477.43 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one
PubChem CID10254433
Molecular FormulaC25H30Cl2N2O3
Molecular Weight477.43 g/mol
Exact Mass476.16
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one
SMILESCOc1ccc(C2(C)CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C25H30Cl2N2O3/c1-25(10-13-29(24(25)30)19-7-8-20(26)21(27)17-19)18-6-9-22(31-2)23(16-18)32-15-14-28-11-4-3-5-12-28/h6-9,16-17H,3-5,10-15H2,1-2H3
InChIKeyODINENOTSWRONR-UHFFFAOYSA-N
XLogP5.56
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one with MolForge

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Related Compounds

N-(5-Chloro-2-morpholinophenyl)-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
CID 4800703
1-(3-chloro-4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 9981505
1-(3-Fluoro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10003477
1-(3,4-Dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10050022
1-(3-Fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10409431
1-(4-Methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10410103
1-(3-Chloro-4-methoxyphenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 10479309
1-(3,4-Dichlorophenyl)-1,5-dihydro-3-[4-methoxy-3-[2-(1-piperidinyl)ethoxy]phenyl]-2h-pyrrol-2-one
CID 10479409
3-(3,4-Dichlorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 24887284
3-(3,4-Dichloro-phenyl)-1-{4-methoxy-3-[2-(4methyl-piperidin-1-yl)-ethoxy]-phenyl}-pyrrolidin-2-one
CID 24887517
3-(3,4-Dichlorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one
CID 24887525
3-(3,4-Dichlorophenyl)-1-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-3-methylpyrrolidin-2-one
CID 24887967

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one (CID 10254433) is 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one is COc1ccc(C2(C)CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one?
The InChIKey is ODINENOTSWRONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2O3/c1-25(10-13-29(24(25)30)19-7-8-20(26)21(27)17-19)18-6-9-22(31-2)23(16-18)32-15-14-28-11-4-3-5-12-28/h6-9,16-17H,3-5,10-15H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one?
1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one has a molecular weight of 477.43 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 10254433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).