1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

C18H23N3O3 — CID 27805299

IUPAC1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)c(C)c1
InChIInChI=1S/C18H23N3O3/c1-11-3-4-14(12(2)9-11)21-16(22)10-15(18(21)24)20-7-5-13(6-8-20)17(19)23/h3-4,9,13,15H,5-8,10H2,1-2H3,(H2,19,23)/t15-/m0/s1
InChIKeyUOZBJCHOSRWUQQ-HNNXBMFYSA-N
MW329.40 g/mol
LogP1.13
Rot. Bonds3

About 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 27805299) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID27805299
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)c(C)c1
InChIInChI=1S/C18H23N3O3/c1-11-3-4-14(12(2)9-11)21-16(22)10-15(18(21)24)20-7-5-13(6-8-20)17(19)23/h3-4,9,13,15H,5-8,10H2,1-2H3,(H2,19,23)/t15-/m0/s1
InChIKeyUOZBJCHOSRWUQQ-HNNXBMFYSA-N
XLogP1.13
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 2942972
1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 27805301
1-[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 17121345
ethyl (3R)-1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 124833227
(3S)-1-(2,4-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 7928119
1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
1-[(3R)-1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 795385
1-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2832607
ethyl 1-[1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 17190530
1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 43840960
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2852672
1-[(3R)-1-(3-fluoro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 699072

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide (CID 27805299) is 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide is Cc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)c(C)c1.
What is the InChIKey of 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is UOZBJCHOSRWUQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-3-4-14(12(2)9-11)21-16(22)10-15(18(21)24)20-7-5-13(6-8-20)17(19)23/h3-4,9,13,15H,5-8,10H2,1-2H3,(H2,19,23)/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 27805299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).