8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C16H23N3O — CID 20616820

IUPAC8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-18-11-9-16(10-12-18)15(20)17(2)13-19(16)14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3
InChIKeyWPLHIPGBAZEFKD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.78
Rot. Bonds2

About 8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 20616820) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID20616820
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-18-11-9-16(10-12-18)15(20)17(2)13-19(16)14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3
InChIKeyWPLHIPGBAZEFKD-UHFFFAOYSA-N
XLogP1.78
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 158615147
3-methyl-8-[[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 97299563
3-ethyl-8-(naphthalen-1-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 54094982
8-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 24847088
(E)-but-2-enedioic acid;3-methyl-1-phenyl-8-[3-(2-thiophen-2-yl-1,3-dioxolan-2-yl)propyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 5468183
(E)-N-[2-[3-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propylsulfanyl]phenyl]-3-phenylprop-2-enamide
CID 5468182
8-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 6269102
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-(3-methylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 15121349
4-(3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)benzonitrile;hydrochloride
CID 118417161
methyl 2-(benzenesulfonamido)-3-[(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)amino]propanoate
CID 58733460
3-(2-bromoethyl)-8-(naphthalen-1-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 90812281
3-[9-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-3-yl]nonyl]-1-phenyl-8-(4-propan-2-ylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 11411841

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 20616820) is 8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CCN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1.
What is the InChIKey of 8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is WPLHIPGBAZEFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-18-11-9-16(10-12-18)15(20)17(2)13-19(16)14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3.
What are the key properties of 8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 273.38 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 20616820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).