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

C24H29FN2O3 — CID 10409431

IUPAC1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C24H29FN2O3/c1-29-22-9-8-18(16-23(22)30-15-14-26-11-3-2-4-12-26)21-10-13-27(24(21)28)20-7-5-6-19(25)17-20/h5-9,16-17,21H,2-4,10-15H2,1H3
InChIKeyMPCUXOCFSYGKRJ-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.22
Rot. Bonds7

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

1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one (PubChem CID 10409431) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
PubChem CID10409431
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C24H29FN2O3/c1-29-22-9-8-18(16-23(22)30-15-14-26-11-3-2-4-12-26)21-10-13-27(24(21)28)20-7-5-6-19(25)17-20/h5-9,16-17,21H,2-4,10-15H2,1H3
InChIKeyMPCUXOCFSYGKRJ-UHFFFAOYSA-N
XLogP4.22
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one (CID 10409431) is 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one is COc1ccc(C2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is MPCUXOCFSYGKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-29-22-9-8-18(16-23(22)30-15-14-26-11-3-2-4-12-26)21-10-13-27(24(21)28)20-7-5-6-19(25)17-20/h5-9,16-17,21H,2-4,10-15H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 412.51 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 10409431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).