1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one

C23H23NO — CID 132937395

IUPAC1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one
SMILESC=CC1CN(Cc2ccccc2)CCC12C(=O)C=Cc1ccccc12
InChIInChI=1S/C23H23NO/c1-2-20-17-24(16-18-8-4-3-5-9-18)15-14-23(20)21-11-7-6-10-19(21)12-13-22(23)25/h2-13,20H,1,14-17H2
InChIKeyXPYVHFURRJIBRH-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.23
Rot. Bonds3

About 1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one

1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one (PubChem CID 132937395) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one
PubChem CID132937395
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one
SMILESC=CC1CN(Cc2ccccc2)CCC12C(=O)C=Cc1ccccc12
InChIInChI=1S/C23H23NO/c1-2-20-17-24(16-18-8-4-3-5-9-18)15-14-23(20)21-11-7-6-10-19(21)12-13-22(23)25/h2-13,20H,1,14-17H2
InChIKeyXPYVHFURRJIBRH-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine]
CID 102430453
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343550
6-benzyl-6-azaspiro[2.5]octan-8-ol
CID 66783213
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
(4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane
CID 102412352
1-benzyl-4-ethenylpiperidine-4-carboxamide
CID 23109456
1'-benzyl-3-methoxyspiro[3H-2-benzoxepine-1,4'-piperidine]
CID 11002181
4-[[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]methyl]benzoic acid
CID 56758982
(4aR,7aR)-2-benzyl-4a-hydroxy-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-5-one
CID 10776768
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
CID 22495756
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one?
The IUPAC name of 1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one (CID 132937395) is 1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one.
What is the SMILES notation for 1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one?
The canonical SMILES for 1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one is C=CC1CN(Cc2ccccc2)CCC12C(=O)C=Cc1ccccc12.
What is the InChIKey of 1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one?
The InChIKey is XPYVHFURRJIBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-2-20-17-24(16-18-8-4-3-5-9-18)15-14-23(20)21-11-7-6-10-19(21)12-13-22(23)25/h2-13,20H,1,14-17H2.
What are the key properties of 1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one?
1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one has a molecular weight of 329.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one is sourced from PubChem (CID 132937395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).