1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one

C23H23Cl3N2O2 — CID 24887761

IUPAC1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one
SMILESO=C1C(c2ccc(Cl)c(Cl)c2)=CCN1c1ccc(Cl)c(OCCN2CCCCC2)c1
InChIInChI=1S/C23H23Cl3N2O2/c24-19-6-4-16(14-21(19)26)18-8-11-28(23(18)29)17-5-7-20(25)22(15-17)30-13-12-27-9-2-1-3-10-27/h4-8,14-15H,1-3,9-13H2
InChIKeyBHRKWWDDZSRXHQ-UHFFFAOYSA-N
MW465.81 g/mol
LogP5.94
Rot. Bonds6

About 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one

1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one (PubChem CID 24887761) has the molecular formula C23H23Cl3N2O2 and a molecular weight of 465.81 g/mol. Its IUPAC name is 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one
PubChem CID24887761
Molecular FormulaC23H23Cl3N2O2
Molecular Weight465.81 g/mol
Exact Mass464.08
IUPAC Name1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one
SMILESO=C1C(c2ccc(Cl)c(Cl)c2)=CCN1c1ccc(Cl)c(OCCN2CCCCC2)c1
InChIInChI=1S/C23H23Cl3N2O2/c24-19-6-4-16(14-21(19)26)18-8-11-28(23(18)29)17-5-7-20(25)22(15-17)30-13-12-27-9-2-1-3-10-27/h4-8,14-15H,1-3,9-13H2
InChIKeyBHRKWWDDZSRXHQ-UHFFFAOYSA-N
XLogP5.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.81
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one (CID 24887761) is 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one is O=C1C(c2ccc(Cl)c(Cl)c2)=CCN1c1ccc(Cl)c(OCCN2CCCCC2)c1.
What is the InChIKey of 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one?
The InChIKey is BHRKWWDDZSRXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N2O2/c24-19-6-4-16(14-21(19)26)18-8-11-28(23(18)29)17-5-7-20(25)22(15-17)30-13-12-27-9-2-1-3-10-27/h4-8,14-15H,1-3,9-13H2.
What are the key properties of 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one?
1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one has a molecular weight of 465.81 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-4-(3,4-dichlorophenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 24887761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).