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

C19H24N2O4 — CID 9437486

IUPACethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C19H24N2O4/c1-2-25-19(24)15-9-12-20(13-10-15)18(23)14-5-7-16(8-6-14)21-11-3-4-17(21)22/h5-8,15H,2-4,9-13H2,1H3
InChIKeyZRAUIHLUNZRJFT-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.23
Rot. Bonds4

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

ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate (PubChem CID 9437486) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate
PubChem CID9437486
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C19H24N2O4/c1-2-25-19(24)15-9-12-20(13-10-15)18(23)14-5-7-16(8-6-14)21-11-3-4-17(21)22/h5-8,15H,2-4,9-13H2,1H3
InChIKeyZRAUIHLUNZRJFT-UHFFFAOYSA-N
XLogP2.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate (CID 9437486) is ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate?
The InChIKey is ZRAUIHLUNZRJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-25-19(24)15-9-12-20(13-10-15)18(23)14-5-7-16(8-6-14)21-11-3-4-17(21)22/h5-8,15H,2-4,9-13H2,1H3.
What are the key properties of ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 9437486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).