8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C23H27N3O — CID 18782349

IUPAC8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1ccc2c(c1)CCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C23H27N3O/c1-17-7-9-20-18(15-17)8-10-21(20)25-13-11-23(12-14-25)22(27)24-16-26(23)19-5-3-2-4-6-19/h2-7,9,15,21H,8,10-14,16H2,1H3,(H,24,27)
InChIKeyYWGAOJOHJLKKBP-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.41
Rot. Bonds2

About 8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 18782349) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID18782349
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1ccc2c(c1)CCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C23H27N3O/c1-17-7-9-20-18(15-17)8-10-21(20)25-13-11-23(12-14-25)22(27)24-16-26(23)19-5-3-2-4-6-19/h2-7,9,15,21H,8,10-14,16H2,1H3,(H,24,27)
InChIKeyYWGAOJOHJLKKBP-UHFFFAOYSA-N
XLogP3.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 18782349) is 8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is Cc1ccc2c(c1)CCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is YWGAOJOHJLKKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-7-9-20-18(15-17)8-10-21(20)25-13-11-23(12-14-25)22(27)24-16-26(23)19-5-3-2-4-6-19/h2-7,9,15,21H,8,10-14,16H2,1H3,(H,24,27).
What are the key properties of 8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 361.49 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 18782349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).