1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one

C21H23NO — CID 102589034

IUPAC1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one
SMILESCc1ccc2c(c1)C1(CCC(=O)N(Cc3ccccc3)C1)CC2
InChIInChI=1S/C21H23NO/c1-16-7-8-18-9-11-21(19(18)13-16)12-10-20(23)22(15-21)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyFAOSWQITOPOCIO-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.00
Rot. Bonds2

About 1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one

1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one (PubChem CID 102589034) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one.

Molecular Properties

Compound Name1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one
PubChem CID102589034
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one
SMILESCc1ccc2c(c1)C1(CCC(=O)N(Cc3ccccc3)C1)CC2
InChIInChI=1S/C21H23NO/c1-16-7-8-18-9-11-21(19(18)13-16)12-10-20(23)22(15-21)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyFAOSWQITOPOCIO-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 1'-benzyl-2'-oxospiro[1,2-dihydroindene-3,5'-piperidine]-5-carboxylate
CID 102589037
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
2-benzyl-6-methyl-3,4-dihydroisoquinolin-1-one
CID 58318227
2-benzyl-9-ethylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72929649
2-benzyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70756757
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329
1-benzyl-5,6-dimethylspiro[2H-indole-3,4'-piperidine]
CID 83980538
1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one
CID 169057699
1'-[(4-fluorophenyl)methyl]-5-methylspiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid
CID 155841213
2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70740041
1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one
CID 146485816
9-benzyl-2-oxa-9-azaspiro[4.5]decane-6,8-dione
CID 163249873

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one?
The IUPAC name of 1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one (CID 102589034) is 1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one.
What is the SMILES notation for 1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one?
The canonical SMILES for 1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one is Cc1ccc2c(c1)C1(CCC(=O)N(Cc3ccccc3)C1)CC2.
What is the InChIKey of 1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one?
The InChIKey is FAOSWQITOPOCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-16-7-8-18-9-11-21(19(18)13-16)12-10-20(23)22(15-21)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one?
1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one has a molecular weight of 305.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5-methylspiro[1,2-dihydroindene-3,5'-piperidine]-2'-one is sourced from PubChem (CID 102589034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).