1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one

C18H24N2O — CID 168683832

IUPAC1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N([C@@H]2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O/c1-2-15-11-18(21)20(13-15)17-9-6-10-19(14-17)12-16-7-4-3-5-8-16/h2-5,7-8,15,17H,1,6,9-14H2/t15?,17-/m1/s1
InChIKeySBSWBRLIBPBMRU-OMOCHNIRSA-N
MW284.40 g/mol
LogP2.69
Rot. Bonds4

About 1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one

1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one (PubChem CID 168683832) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one
PubChem CID168683832
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N([C@@H]2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N2O/c1-2-15-11-18(21)20(13-15)17-9-6-10-19(14-17)12-16-7-4-3-5-8-16/h2-5,7-8,15,17H,1,6,9-14H2/t15?,17-/m1/s1
InChIKeySBSWBRLIBPBMRU-OMOCHNIRSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-1-benzylpiperidin-3-yl]-4-(bromomethyl)pyrrolidin-2-one
CID 168503517
4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one
CID 64590686
[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680507
1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661797
1-(1-benzylpyrrolidin-3-yl)-4-sulfanylpyrrolidin-2-one
CID 168707846
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242
1-benzylazepane-3-carbaldehyde
CID 83910081
3-(1-benzylpiperidin-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-9-one
CID 142654358

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one (CID 168683832) is 1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N([C@@H]2CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one?
The InChIKey is SBSWBRLIBPBMRU-OMOCHNIRSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-15-11-18(21)20(13-15)17-9-6-10-19(14-17)12-16-7-4-3-5-8-16/h2-5,7-8,15,17H,1,6,9-14H2/t15?,17-/m1/s1.
What are the key properties of 1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one?
1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one has a molecular weight of 284.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168683832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).