1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one

C23H27N3O3 — CID 42897478

IUPAC1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESCN1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)C(c2ccccc2)C1
InChIInChI=1S/C23H27N3O3/c1-24-13-14-26(21(16-24)18-7-3-2-4-8-18)23(28)17-29-20-10-5-9-19(15-20)25-12-6-11-22(25)27/h2-5,7-10,15,21H,6,11-14,16-17H2,1H3
InChIKeyNUBWYZDHYDJBGI-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.71
Rot. Bonds5

About 1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one

1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one (PubChem CID 42897478) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one
PubChem CID42897478
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESCN1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)C(c2ccccc2)C1
InChIInChI=1S/C23H27N3O3/c1-24-13-14-26(21(16-24)18-7-3-2-4-8-18)23(28)17-29-20-10-5-9-19(15-20)25-12-6-11-22(25)27/h2-5,7-10,15,21H,6,11-14,16-17H2,1H3
InChIKeyNUBWYZDHYDJBGI-UHFFFAOYSA-N
XLogP2.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one (CID 42897478) is 1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one is CN1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)C(c2ccccc2)C1.
What is the InChIKey of 1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is NUBWYZDHYDJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-24-13-14-26(21(16-24)18-7-3-2-4-8-18)23(28)17-29-20-10-5-9-19(15-20)25-12-6-11-22(25)27/h2-5,7-10,15,21H,6,11-14,16-17H2,1H3.
What are the key properties of 1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one?
1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 42897478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).