8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C24H23N3O2 — CID 10156925

IUPAC8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(c1ccc2ccccc2c1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C24H23N3O2/c28-22(20-11-10-18-6-4-5-7-19(18)16-20)26-14-12-24(13-15-26)23(29)25-17-27(24)21-8-2-1-3-9-21/h1-11,16H,12-15,17H2,(H,25,29)
InChIKeyULOJDBCTIOADBA-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.41
Rot. Bonds2

About 8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10156925) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10156925
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(c1ccc2ccccc2c1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C24H23N3O2/c28-22(20-11-10-18-6-4-5-7-19(18)16-20)26-14-12-24(13-15-26)23(29)25-17-27(24)21-8-2-1-3-9-21/h1-11,16H,12-15,17H2,(H,25,29)
InChIKeyULOJDBCTIOADBA-UHFFFAOYSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11682270
8-(4-chlorobenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2,2,2-trifluoroacetic acid
CID 53470052
1-phenyl-8-[4-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidine-1-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 3510475
8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 141234209
(Z)-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)but-2-enoic acid
CID 45109158
8-(naphthalene-2-carbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 5107632
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
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
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
4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24735797
N-[2-[1-(3-chlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 46939578
2-[2-[4-hydroxy-1-(naphthalene-2-carbonyl)piperidin-4-yl]phenyl]acetic acid
CID 22399209

Frequently Asked Questions

What is the IUPAC name of 8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 10156925) is 8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C(c1ccc2ccccc2c1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is ULOJDBCTIOADBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-22(20-11-10-18-6-4-5-7-19(18)16-20)26-14-12-24(13-15-26)23(29)25-17-27(24)21-8-2-1-3-9-21/h1-11,16H,12-15,17H2,(H,25,29).
What are the key properties of 8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 385.47 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-(naphthalene-2-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10156925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).