N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide

C23H23N3O2 — CID 171631086

IUPACN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1-c1ccc(C(=O)NCC(=O)N2CCC3(CC2)CC3)cc1
InChIInChI=1S/C23H23N3O2/c24-15-19-3-1-2-4-20(19)17-5-7-18(8-6-17)22(28)25-16-21(27)26-13-11-23(9-10-23)12-14-26/h1-8H,9-14,16H2,(H,25,28)
InChIKeyOCJTVEPAMJEITH-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide

N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide (PubChem CID 171631086) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide.

Molecular Properties

Compound NameN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide
PubChem CID171631086
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1-c1ccc(C(=O)NCC(=O)N2CCC3(CC2)CC3)cc1
InChIInChI=1S/C23H23N3O2/c24-15-19-3-1-2-4-20(19)17-5-7-18(8-6-17)22(28)25-16-21(27)26-13-11-23(9-10-23)12-14-26/h1-8H,9-14,16H2,(H,25,28)
InChIKeyOCJTVEPAMJEITH-UHFFFAOYSA-N
XLogP3.36
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzamide
CID 145307892
4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 126431535
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide
CID 90618254
2-[4-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 126423979
[4-(2-cyanophenyl)phenyl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 31117812
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide;cyclopropylbenzene
CID 171631390
1-[2-[(4-phenylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 36929560
2-[4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]benzonitrile
CID 30739189
N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide
CID 10432288
3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 110712456

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide?
The IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide (CID 171631086) is N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide.
What is the SMILES notation for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide?
The canonical SMILES for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide is N#Cc1ccccc1-c1ccc(C(=O)NCC(=O)N2CCC3(CC2)CC3)cc1.
What is the InChIKey of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide?
The InChIKey is OCJTVEPAMJEITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-15-19-3-1-2-4-20(19)17-5-7-18(8-6-17)22(28)25-16-21(27)26-13-11-23(9-10-23)12-14-26/h1-8H,9-14,16H2,(H,25,28).
What are the key properties of N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide?
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide is sourced from PubChem (CID 171631086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).