1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one

C21H23NO — CID 146485816

IUPAC1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one
SMILESCc1ccc2c(c1)CC1(CCN(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C21H23NO/c1-16-7-8-19-18(13-16)14-21(20(19)23)9-11-22(12-10-21)15-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyCFCNJOSGGXEOFT-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.02
Rot. Bonds2

About 1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one

1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one (PubChem CID 146485816) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one
PubChem CID146485816
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one
SMILESCc1ccc2c(c1)CC1(CCN(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C21H23NO/c1-16-7-8-19-18(13-16)14-21(20(19)23)9-11-22(12-10-21)15-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyCFCNJOSGGXEOFT-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
CID 121005441
1'-benzyl-5-methylspiro[indene-2,4'-piperidine]
CID 175775241
2-benzyl-6-methyl-3,4-dihydroisoquinolin-1-one
CID 58318227
(NZ)-N-(1'-benzylspiro[3H-indene-2,4'-piperidine]-1-ylidene)hydroxylamine
CID 135369336
2-benzyl-8-methyl-10a-phenyl-1,3,4,10-tetrahydropyrazino[1,2-a]indole
CID 170032378
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine
CID 130137268

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one?
The IUPAC name of 1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one (CID 146485816) is 1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one.
What is the SMILES notation for 1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one?
The canonical SMILES for 1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one is Cc1ccc2c(c1)CC1(CCN(Cc3ccccc3)CC1)C2=O.
What is the InChIKey of 1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one?
The InChIKey is CFCNJOSGGXEOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-16-7-8-19-18(13-16)14-21(20(19)23)9-11-22(12-10-21)15-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one?
1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one has a molecular weight of 305.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one is sourced from PubChem (CID 146485816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).