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

C23H25Cl3N2O3 — CID 24887521

IUPAC1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one
SMILESO=C1C(c2ccc(Cl)c(Cl)c2)CC(O)N1c1ccc(Cl)c(OCCN2CCCCC2)c1
InChIInChI=1S/C23H25Cl3N2O3/c24-18-6-4-15(12-20(18)26)17-14-22(29)28(23(17)30)16-5-7-19(25)21(13-16)31-11-10-27-8-2-1-3-9-27/h4-7,12-13,17,22,29H,1-3,8-11,14H2
InChIKeyMYEDZDFEBLLMCH-UHFFFAOYSA-N
MW483.82 g/mol
LogP5.35
Rot. Bonds6

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

1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one (PubChem CID 24887521) has the molecular formula C23H25Cl3N2O3 and a molecular weight of 483.82 g/mol. Its IUPAC name is 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one
PubChem CID24887521
Molecular FormulaC23H25Cl3N2O3
Molecular Weight483.82 g/mol
Exact Mass482.09
IUPAC Name1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one
SMILESO=C1C(c2ccc(Cl)c(Cl)c2)CC(O)N1c1ccc(Cl)c(OCCN2CCCCC2)c1
InChIInChI=1S/C23H25Cl3N2O3/c24-18-6-4-15(12-20(18)26)17-14-22(29)28(23(17)30)16-5-7-19(25)21(13-16)31-11-10-27-8-2-1-3-9-27/h4-7,12-13,17,22,29H,1-3,8-11,14H2
InChIKeyMYEDZDFEBLLMCH-UHFFFAOYSA-N
XLogP5.35
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.82
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one (CID 24887521) is 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one is O=C1C(c2ccc(Cl)c(Cl)c2)CC(O)N1c1ccc(Cl)c(OCCN2CCCCC2)c1.
What is the InChIKey of 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one?
The InChIKey is MYEDZDFEBLLMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N2O3/c24-18-6-4-15(12-20(18)26)17-14-22(29)28(23(17)30)16-5-7-19(25)21(13-16)31-11-10-27-8-2-1-3-9-27/h4-7,12-13,17,22,29H,1-3,8-11,14H2.
What are the key properties of 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one?
1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one has a molecular weight of 483.82 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 24887521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).