1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide

C16H20N3O3+ — CID 5043904

IUPAC1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide
SMILESNC(=O)C1CCC[NH+](C2CC(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C16H19N3O3/c17-15(21)11-5-4-8-18(10-11)13-9-14(20)19(16(13)22)12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H2,17,21)/p+1
InChIKeyMLZJDHFHGJFLBQ-UHFFFAOYSA-O
MW302.35 g/mol
LogP-0.90
Rot. Bonds3

About 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide

1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide (PubChem CID 5043904) has the molecular formula C16H20N3O3+ and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide
PubChem CID5043904
Molecular FormulaC16H20N3O3+
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide
SMILESNC(=O)C1CCC[NH+](C2CC(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C16H19N3O3/c17-15(21)11-5-4-8-18(10-11)13-9-14(20)19(16(13)22)12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H2,17,21)/p+1
InChIKeyMLZJDHFHGJFLBQ-UHFFFAOYSA-O
XLogP-0.90
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide
CID 6960666
1-[(3S)-1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide
CID 6972136
ethyl (3R)-1-[(3R)-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]piperidin-1-ium-3-carboxylate
CID 7236642
(3R)-3-(4-methylpiperidin-1-ium-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 6922087
1-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide
CID 6920858
1-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide
CID 7116916
1-[(3S)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide
CID 6952991
(3S)-1-(4-methylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7448616
1-[(3R)-1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide
CID 6925117
ethyl 4-[(3S)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 6594699
(3R)-3-(4-benzylpiperidin-1-ium-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 6920872
(3R)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 6922165

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide?
The IUPAC name of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide (CID 5043904) is 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide.
What is the SMILES notation for 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide?
The canonical SMILES for 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide is NC(=O)C1CCC[NH+](C2CC(=O)N(c3ccccc3)C2=O)C1.
What is the InChIKey of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide?
The InChIKey is MLZJDHFHGJFLBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19N3O3/c17-15(21)11-5-4-8-18(10-11)13-9-14(20)19(16(13)22)12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H2,17,21)/p+1.
What are the key properties of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide?
1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide has a molecular weight of 302.35 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperidin-1-ium-3-carboxamide is sourced from PubChem (CID 5043904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).