1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one

C22H28N2O — CID 69417251

IUPAC1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(C23CC4CC(CC(C4)C2)C3)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H28N2O/c25-20-22(5-7-23-8-6-22)18-3-1-2-4-19(18)24(20)21-12-15-9-16(13-21)11-17(10-15)14-21/h1-4,15-17,23H,5-14H2
InChIKeyFAWBKEPYMFBPOT-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.62
Rot. Bonds1

About 1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one

1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 69417251) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID69417251
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(C23CC4CC(CC(C4)C2)C3)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H28N2O/c25-20-22(5-7-23-8-6-22)18-3-1-2-4-19(18)24(20)21-12-15-9-16(13-21)11-17(10-15)14-21/h1-4,15-17,23H,5-14H2
InChIKeyFAWBKEPYMFBPOT-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride
CID 146405544
tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate
CID 69184428
1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one
CID 90695133
1-(cyclopropylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 121229489
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787
1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 147971308
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 68788369
1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 69089848
1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155909321
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one (CID 69417251) is 1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one is O=C1N(C23CC4CC(CC(C4)C2)C3)c2ccccc2C12CCNCC2.
What is the InChIKey of 1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is FAWBKEPYMFBPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c25-20-22(5-7-23-8-6-22)18-3-1-2-4-19(18)24(20)21-12-15-9-16(13-21)11-17(10-15)14-21/h1-4,15-17,23H,5-14H2.
What are the key properties of 1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one?
1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 336.48 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 69417251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).