N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

C18H22N4O3 — CID 3233668

IUPACN-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCOCC(=O)N1CCC2(CC1)CN(C(=O)Nc1cccc(C#N)c1)C2
InChIInChI=1S/C18H22N4O3/c1-25-11-16(23)21-7-5-18(6-8-21)12-22(13-18)17(24)20-15-4-2-3-14(9-15)10-19/h2-4,9H,5-8,11-13H2,1H3,(H,20,24)
InChIKeyUCCLNXCOPJJQEH-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.66
Rot. Bonds3

About N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 3233668) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID3233668
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCOCC(=O)N1CCC2(CC1)CN(C(=O)Nc1cccc(C#N)c1)C2
InChIInChI=1S/C18H22N4O3/c1-25-11-16(23)21-7-5-18(6-8-21)12-22(13-18)17(24)20-15-4-2-3-14(9-15)10-19/h2-4,9H,5-8,11-13H2,1H3,(H,20,24)
InChIKeyUCCLNXCOPJJQEH-UHFFFAOYSA-N
XLogP1.66
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234690
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CID 95333968
N-(3-cyanophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233533
N-(3-cyanophenyl)-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3233698
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
N-(3-cyanophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113109998
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709
N-(3-cyanophenyl)-5-hydroxy-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 123772009
N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113682
2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
CID 79851880
(1R,5S)-N-(3-cyanophenyl)-6-(2-methoxyethyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133125198

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 3233668) is N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is COCC(=O)N1CCC2(CC1)CN(C(=O)Nc1cccc(C#N)c1)C2.
What is the InChIKey of N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is UCCLNXCOPJJQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-11-16(23)21-7-5-18(6-8-21)12-22(13-18)17(24)20-15-4-2-3-14(9-15)10-19/h2-4,9H,5-8,11-13H2,1H3,(H,20,24).
What are the key properties of N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-7-(2-methoxyacetyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 3233668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).