1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione

C16H20N2O2 — CID 2866995

IUPAC1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-15-11-14(17-9-5-2-6-10-17)16(20)18(15)12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyLFFMNEGDAQZGMW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.80
Rot. Bonds3

About 1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione

1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione (PubChem CID 2866995) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione
PubChem CID2866995
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-15-11-14(17-9-5-2-6-10-17)16(20)18(15)12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyLFFMNEGDAQZGMW-UHFFFAOYSA-N
XLogP1.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
1-Benzyl-4-carbamoyl-4-piperidinopiperidine
CID 74480
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
3-(4-Benzoylpiperazin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 2877352
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
1-Benzyl-4-(1-pyrrolidinyl)piperidine-4-carboxamide
CID 81582
1-(2-Phenylethyl)-4-(phenylmethyl)-2,6-piperazinedione
CID 2259642
(S)-2-Amino-4-dibenzylamino-1-piperidin-1-yl-butan-1-one
CID 11474019
1-(2-Phenylethyl)-3-[(2-phenylethyl)amino]pyrrolidine-2,5-dione
CID 2853912
3-[1-(3-Fluoro-benzoyl)-piperidin-4-ylamino]-pyrrolidine-2,5-dione
CID 2997104
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione (CID 2866995) is 1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione is O=C1CC(N2CCCCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is LFFMNEGDAQZGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-11-14(17-9-5-2-6-10-17)16(20)18(15)12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2.
What are the key properties of 1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione?
1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-piperidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2866995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).