ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate

C18H23N3O4 — CID 3240739

IUPACethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C18H23N3O4/c1-2-25-18(24)20-12-10-19(11-13-20)17(23)14-5-7-15(8-6-14)21-9-3-4-16(21)22/h5-8H,2-4,9-13H2,1H3
InChIKeyDBBBDGAKWPNSQX-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.73
Rot. Bonds3

About ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate

ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate (PubChem CID 3240739) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate
PubChem CID3240739
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nameethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C18H23N3O4/c1-2-25-18(24)20-12-10-19(11-13-20)17(23)14-5-7-15(8-6-14)21-9-3-4-16(21)22/h5-8H,2-4,9-13H2,1H3
InChIKeyDBBBDGAKWPNSQX-UHFFFAOYSA-N
XLogP1.73
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate (CID 3240739) is ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate?
The InChIKey is DBBBDGAKWPNSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-25-18(24)20-12-10-19(11-13-20)17(23)14-5-7-15(8-6-14)21-9-3-4-16(21)22/h5-8H,2-4,9-13H2,1H3.
What are the key properties of ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate?
ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 3240739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).