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

C24H28Cl2N2O3 — CID 10050022

IUPAC1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C24H28Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-8,15-16,19H,2-4,9-14H2,1H3
InChIKeyQFCKEEGOMLEOKN-UHFFFAOYSA-N
MW463.41 g/mol
LogP5.39
Rot. Bonds7

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

1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one (PubChem CID 10050022) has the molecular formula C24H28Cl2N2O3 and a molecular weight of 463.41 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
PubChem CID10050022
Molecular FormulaC24H28Cl2N2O3
Molecular Weight463.41 g/mol
Exact Mass462.15
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C24H28Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-8,15-16,19H,2-4,9-14H2,1H3
InChIKeyQFCKEEGOMLEOKN-UHFFFAOYSA-N
XLogP5.39
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one (CID 10050022) is 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one is COc1ccc(C2CCN(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]pyrrolidin-2-one?
The InChIKey is QFCKEEGOMLEOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O3/c1-30-22-8-5-17(15-23(22)31-14-13-27-10-3-2-4-11-27)19-9-12-28(24(19)29)18-6-7-20(25)21(26)16-18/h5-8,15-16,19H,2-4,9-14H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
1-(3,4-dichlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 463.41 g/mol, XLogP of 5.39, 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]pyrrolidin-2-one is sourced from PubChem (CID 10050022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).