1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C18H26N4O3 — CID 56724045

IUPAC1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)c1nccn1CC1CCN(C(=O)CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C18H26N4O3/c1-13(2)18-19-7-10-21(18)11-14-5-8-20(9-6-14)17(25)12-22-15(23)3-4-16(22)24/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3
InChIKeyULEDRRCGJLIPCL-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.39
Rot. Bonds5

About 1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 56724045) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID56724045
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)c1nccn1CC1CCN(C(=O)CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C18H26N4O3/c1-13(2)18-19-7-10-21(18)11-14-5-8-20(9-6-14)17(25)12-22-15(23)3-4-16(22)24/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3
InChIKeyULEDRRCGJLIPCL-UHFFFAOYSA-N
XLogP1.39
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
1-(3-Imidazol-1-yl-propyl)-4-(2-pyrrolidin-1-yl-ethyl)-piperazine-2,5-dione
CID 44399942
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53559979
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 53601583
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 53625250
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[2-methyl-3-(1-pyrrolidinyl)propanoyl]piperidine
CID 70752396
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]piperidine
CID 70765708
1-[2-(dimethylamino)ethyl]-4-{[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-2-pyrrolidinone
CID 70777043
2-[Cyclopropyl(methyl)amino]-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 72141972
1-[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 72143177
4-(2-Methylimidazol-1-yl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 72146979

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 56724045) is 1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is CC(C)c1nccn1CC1CCN(C(=O)CN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is ULEDRRCGJLIPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(2)18-19-7-10-21(18)11-14-5-8-20(9-6-14)17(25)12-22-15(23)3-4-16(22)24/h7,10,13-14H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of 1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 346.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 56724045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).