N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

C18H21N3O4 — CID 146129255

IUPACN-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)NC2CCC(=O)NC2=O)CC1=O
InChIInChI=1S/C18H21N3O4/c1-11(12-5-3-2-4-6-12)21-10-13(9-16(21)23)17(24)19-14-7-8-15(22)20-18(14)25/h2-6,11,13-14H,7-10H2,1H3,(H,19,24)(H,20,22,25)
InChIKeyWRYOFJQSZVGSPB-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.52
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 146129255) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID146129255
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)NC2CCC(=O)NC2=O)CC1=O
InChIInChI=1S/C18H21N3O4/c1-11(12-5-3-2-4-6-12)21-10-13(9-16(21)23)17(24)19-14-7-8-15(22)20-18(14)25/h2-6,11,13-14H,7-10H2,1H3,(H,19,24)(H,20,22,25)
InChIKeyWRYOFJQSZVGSPB-UHFFFAOYSA-N
XLogP0.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 124690839
trans-(1S,2S)-2-[[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 124858174
(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 94480588
1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 154810817
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108764768
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
1-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 97185382
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
N-(2-aminoethyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119381978
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119585380

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide (CID 146129255) is N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide is CC(c1ccccc1)N1CC(C(=O)NC2CCC(=O)NC2=O)CC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is WRYOFJQSZVGSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(12-5-3-2-4-6-12)21-10-13(9-16(21)23)17(24)19-14-7-8-15(22)20-18(14)25/h2-6,11,13-14H,7-10H2,1H3,(H,19,24)(H,20,22,25).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 146129255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).