1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one

C20H29N3O2 — CID 24819267

IUPAC1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)CN3CCCC3=O)C2)cc1
InChIInChI=1S/C20H29N3O2/c1-15(2)16-7-9-17(10-8-16)21-18-5-3-11-22(13-18)20(25)14-23-12-4-6-19(23)24/h7-10,15,18,21H,3-6,11-14H2,1-2H3
InChIKeyRATBMBDVYFVINY-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.84
Rot. Bonds5

About 1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 24819267) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID24819267
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)CN3CCCC3=O)C2)cc1
InChIInChI=1S/C20H29N3O2/c1-15(2)16-7-9-17(10-8-16)21-18-5-3-11-22(13-18)20(25)14-23-12-4-6-19(23)24/h7-10,15,18,21H,3-6,11-14H2,1-2H3
InChIKeyRATBMBDVYFVINY-UHFFFAOYSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 24819267) is 1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one is CC(C)c1ccc(NC2CCCN(C(=O)CN3CCCC3=O)C2)cc1.
What is the InChIKey of 1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is RATBMBDVYFVINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15(2)16-7-9-17(10-8-16)21-18-5-3-11-22(13-18)20(25)14-23-12-4-6-19(23)24/h7-10,15,18,21H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 343.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 24819267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).