ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate

C26H31N3O6 — CID 3237139

IUPACethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(OC)cc3)C2c2ccc(OC)cc2)CC1
InChIInChI=1S/C26H31N3O6/c1-4-35-26(32)28-15-13-27(14-16-28)25(31)22-17-23(30)29(19-7-11-21(34-3)12-8-19)24(22)18-5-9-20(33-2)10-6-18/h5-12,22,24H,4,13-17H2,1-3H3
InChIKeyFBFIPXNHAUQFMK-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.10
Rot. Bonds6

About ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 3237139) has the molecular formula C26H31N3O6 and a molecular weight of 481.55 g/mol. Its IUPAC name is ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
PubChem CID3237139
Molecular FormulaC26H31N3O6
Molecular Weight481.55 g/mol
Exact Mass481.22
IUPAC Nameethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(OC)cc3)C2c2ccc(OC)cc2)CC1
InChIInChI=1S/C26H31N3O6/c1-4-35-26(32)28-15-13-27(14-16-28)25(31)22-17-23(30)29(19-7-11-21(34-3)12-8-19)24(22)18-5-9-20(33-2)10-6-18/h5-12,22,24H,4,13-17H2,1-3H3
InChIKeyFBFIPXNHAUQFMK-UHFFFAOYSA-N
XLogP3.10
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate (CID 3237139) is ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(OC)cc3)C2c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is FBFIPXNHAUQFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O6/c1-4-35-26(32)28-15-13-27(14-16-28)25(31)22-17-23(30)29(19-7-11-21(34-3)12-8-19)24(22)18-5-9-20(33-2)10-6-18/h5-12,22,24H,4,13-17H2,1-3H3.
What are the key properties of ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 481.55 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 3237139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).