4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one

C18H25NO — CID 175196797

IUPAC4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one
SMILESCc1cccc2c1CC1(CCN(CC(C)C)CC1)C2=O
InChIInChI=1S/C18H25NO/c1-13(2)12-19-9-7-18(8-10-19)11-16-14(3)5-4-6-15(16)17(18)20/h4-6,13H,7-12H2,1-3H3
InChIKeyRWRBYMDKGFCRBW-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.47
Rot. Bonds2

About 4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one

4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one (PubChem CID 175196797) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one.

Molecular Properties

Compound Name4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one
PubChem CID175196797
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one
SMILESCc1cccc2c1CC1(CCN(CC(C)C)CC1)C2=O
InChIInChI=1S/C18H25NO/c1-13(2)12-19-9-7-18(8-10-19)11-16-14(3)5-4-6-15(16)17(18)20/h4-6,13H,7-12H2,1-3H3
InChIKeyRWRBYMDKGFCRBW-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one?
The IUPAC name of 4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one (CID 175196797) is 4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one.
What is the SMILES notation for 4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one?
The canonical SMILES for 4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one is Cc1cccc2c1CC1(CCN(CC(C)C)CC1)C2=O.
What is the InChIKey of 4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one?
The InChIKey is RWRBYMDKGFCRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(2)12-19-9-7-18(8-10-19)11-16-14(3)5-4-6-15(16)17(18)20/h4-6,13H,7-12H2,1-3H3.
What are the key properties of 4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one?
4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one has a molecular weight of 271.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1'-(2-methylpropyl)spiro[3H-indene-2,4'-piperidine]-1-one is sourced from PubChem (CID 175196797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).