methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

C18H29N3O — CID 158615147

IUPACmethane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESC.CC(C)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1
InChIInChI=1S/C17H25N3O.CH4/c1-14(2)19-11-9-17(10-12-19)16(21)18(3)13-20(17)15-7-5-4-6-8-15;/h4-8,14H,9-13H2,1-3H3;1H4
InChIKeyHXHKMLJZPABARI-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.80
Rot. Bonds2

About methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 158615147) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Namemethane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID158615147
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Namemethane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESC.CC(C)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1
InChIInChI=1S/C17H25N3O.CH4/c1-14(2)19-11-9-17(10-12-19)16(21)18(3)13-20(17)15-7-5-4-6-8-15;/h4-8,14H,9-13H2,1-3H3;1H4
InChIKeyHXHKMLJZPABARI-UHFFFAOYSA-N
XLogP2.80
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 20616820
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
1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21493483
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
8-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 6269102
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
2-fluoro-5-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 118417333
2-methyl-N-[3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 123303739
4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 118417236
(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
methyl 2-(benzenesulfonamido)-3-[(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carbonyl)amino]propanoate
CID 58733460

Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (CID 158615147) is methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is C.CC(C)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1.
What is the InChIKey of methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is HXHKMLJZPABARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.CH4/c1-14(2)19-11-9-17(10-12-19)16(21)18(3)13-20(17)15-7-5-4-6-8-15;/h4-8,14H,9-13H2,1-3H3;1H4.
What are the key properties of methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 303.45 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-1-phenyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 158615147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).