(3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione

C15H17N3O4 — CID 7310610

IUPAC(3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O4/c19-14-10-13(16-8-2-1-3-9-16)15(20)17(14)11-4-6-12(7-5-11)18(21)22/h4-7,13H,1-3,8-10H2/t13-/m1/s1
InChIKeyBIONVTNEDKVIAY-CYBMUJFWSA-N
MW303.32 g/mol
LogP1.71
Rot. Bonds3

About (3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione

(3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione (PubChem CID 7310610) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
PubChem CID7310610
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O4/c19-14-10-13(16-8-2-1-3-9-16)15(20)17(14)11-4-6-12(7-5-11)18(21)22/h4-7,13H,1-3,8-10H2/t13-/m1/s1
InChIKeyBIONVTNEDKVIAY-CYBMUJFWSA-N
XLogP1.71
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 27518764
(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 41474906
(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7279287
(3S)-1-(3,5-dichlorophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 7083208
3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 6610561
1-(4-ethoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2833561
3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 3749980
1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 2732619
1-(4-phenylsulfanylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220406
3-(azepan-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 3139879
(3R)-3-(azepan-1-yl)-1-(4-methoxy-2-nitrophenyl)pyrrolidine-2,5-dione
CID 7310714
(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 683224

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione (CID 7310610) is (3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione is O=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is BIONVTNEDKVIAY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-14-10-13(16-8-2-1-3-9-16)15(20)17(14)11-4-6-12(7-5-11)18(21)22/h4-7,13H,1-3,8-10H2/t13-/m1/s1.
What are the key properties of (3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
(3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 303.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 7310610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).