N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide

C26H33FN6O — CID 134099738

IUPACN'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide
SMILESNC1CCC(/N=C(/Nc2cccc(F)c2)N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1
InChIInChI=1S/C26H33FN6O/c27-19-5-4-6-22(17-19)31-25(30-21-11-9-20(28)10-12-21)32-15-13-26(14-16-32)24(34)29-18-33(26)23-7-2-1-3-8-23/h1-8,17,20-21H,9-16,18,28H2,(H,29,34)(H,30,31)
InChIKeySFDZLFFCIHOOGZ-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.29
Rot. Bonds3

About N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide

N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide (PubChem CID 134099738) has the molecular formula C26H33FN6O and a molecular weight of 464.59 g/mol. Its IUPAC name is N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide.

Molecular Properties

Compound NameN'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide
PubChem CID134099738
Molecular FormulaC26H33FN6O
Molecular Weight464.59 g/mol
Exact Mass464.27
IUPAC NameN'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide
SMILESNC1CCC(/N=C(/Nc2cccc(F)c2)N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1
InChIInChI=1S/C26H33FN6O/c27-19-5-4-6-22(17-19)31-25(30-21-11-9-20(28)10-12-21)32-15-13-26(14-16-32)24(34)29-18-33(26)23-7-2-1-3-8-23/h1-8,17,20-21H,9-16,18,28H2,(H,29,34)(H,30,31)
InChIKeySFDZLFFCIHOOGZ-UHFFFAOYSA-N
XLogP3.29
TPSA85.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23853075
N'-[(1S,2S)-2-aminocyclohexyl]-N-(3-fluorophenyl)-4-pyrrolidin-1-ylpiperidine-1-carboximidamide
CID 134091917
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
N-(3-acetylphenyl)-N'-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]piperidine-1-carboximidamide
CID 134121819
(Z)-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)but-2-enoic acid
CID 45109158
4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24735797
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-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11781971
ethyl 1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 12834315
5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium
CID 10321889
5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride
CID 10321888
1-(4-fluorophenyl)-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 18441784

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide?
The IUPAC name of N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide (CID 134099738) is N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide.
What is the SMILES notation for N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide?
The canonical SMILES for N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide is NC1CCC(/N=C(/Nc2cccc(F)c2)N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1.
What is the InChIKey of N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide?
The InChIKey is SFDZLFFCIHOOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O/c27-19-5-4-6-22(17-19)31-25(30-21-11-9-20(28)10-12-21)32-15-13-26(14-16-32)24(34)29-18-33(26)23-7-2-1-3-8-23/h1-8,17,20-21H,9-16,18,28H2,(H,29,34)(H,30,31).
What are the key properties of N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide?
N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide has a molecular weight of 464.59 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide is sourced from PubChem (CID 134099738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).