5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

C21H24N4O3 — CID 56753316

IUPAC5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C21H24N4O3/c26-19-21(23-13-12-22-19)10-14-25(15-11-21)20(27)24-16-6-8-18(9-7-16)28-17-4-2-1-3-5-17/h1-9,23H,10-15H2,(H,22,26)(H,24,27)
InChIKeyAHLIQWZFHACPRF-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.56
Rot. Bonds3

About 5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 56753316) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID56753316
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C21H24N4O3/c26-19-21(23-13-12-22-19)10-14-25(15-11-21)20(27)24-16-6-8-18(9-7-16)28-17-4-2-1-3-5-17/h1-9,23H,10-15H2,(H,22,26)(H,24,27)
InChIKeyAHLIQWZFHACPRF-UHFFFAOYSA-N
XLogP2.56
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide 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

4-cyclopentyl-4-hydroxy-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 23071843
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310
1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24951866
4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 72841938
N-(4-phenoxyphenyl)-1-sulfamoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 18004920
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
4-cyclopropyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071756
4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 127145242
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 108511608
4-oxo-N-(2-phenoxyphenyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 24735797
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 3338318

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 56753316) is 5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)NCCNC2=O.
What is the InChIKey of 5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is AHLIQWZFHACPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-19-21(23-13-12-22-19)10-14-25(15-11-21)20(27)24-16-6-8-18(9-7-16)28-17-4-2-1-3-5-17/h1-9,23H,10-15H2,(H,22,26)(H,24,27).
What are the key properties of 5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 56753316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).