1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one

C27H31N3O3 — CID 123222639

IUPAC1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1cc(C)c2c(c1C(=O)N1CCC3(CC1)C(=O)NCN3c1ccccc1)CC(C)(C)C2=O
InChIInChI=1S/C27H31N3O3/c1-17-14-18(2)22(20-15-26(3,4)23(31)21(17)20)24(32)29-12-10-27(11-13-29)25(33)28-16-30(27)19-8-6-5-7-9-19/h5-9,14H,10-13,15-16H2,1-4H3,(H,28,33)
InChIKeyOYONPPVFGYFWIY-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.64
Rot. Bonds2

About 1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one

1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 123222639) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID123222639
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1cc(C)c2c(c1C(=O)N1CCC3(CC1)C(=O)NCN3c1ccccc1)CC(C)(C)C2=O
InChIInChI=1S/C27H31N3O3/c1-17-14-18(2)22(20-15-26(3,4)23(31)21(17)20)24(32)29-12-10-27(11-13-29)25(33)28-16-30(27)19-8-6-5-7-9-19/h5-9,14H,10-13,15-16H2,1-4H3,(H,28,33)
InChIKeyOYONPPVFGYFWIY-UHFFFAOYSA-N
XLogP3.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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8-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21046344
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8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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CID 21428990
8-[2-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-7-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 46897000
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 123222639) is 1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one is Cc1cc(C)c2c(c1C(=O)N1CCC3(CC1)C(=O)NCN3c1ccccc1)CC(C)(C)C2=O.
What is the InChIKey of 1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is OYONPPVFGYFWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-17-14-18(2)22(20-15-26(3,4)23(31)21(17)20)24(32)29-12-10-27(11-13-29)25(33)28-16-30(27)19-8-6-5-7-9-19/h5-9,14H,10-13,15-16H2,1-4H3,(H,28,33).
What are the key properties of 1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 445.56 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-(2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 123222639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).