3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide

C23H23N3O2 — CID 170013883

IUPAC3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESC/N=C(\C)C#Cc1cccc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C23H23N3O2/c1-17(24-2)9-10-18-6-5-7-19(16-18)23(28)25-20-11-13-21(14-12-20)26-15-4-3-8-22(26)27/h5-7,11-14,16H,3-4,8,15H2,1-2H3,(H,25,28)/b24-17+
InChIKeySAUWFXVPBODTOC-JJIBRWJFSA-N
MW373.46 g/mol
LogP3.90
Rot. Bonds3

About 3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide

3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 170013883) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID170013883
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESC/N=C(\C)C#Cc1cccc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C23H23N3O2/c1-17(24-2)9-10-18-6-5-7-19(16-18)23(28)25-20-11-13-21(14-12-20)26-15-4-3-8-22(26)27/h5-7,11-14,16H,3-4,8,15H2,1-2H3,(H,25,28)/b24-17+
InChIKeySAUWFXVPBODTOC-JJIBRWJFSA-N
XLogP3.90
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
3,4,5-trimethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687225
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N,N-dimethyl-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 51339093
3-(tert-butylsulfamoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747935
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110618989
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 170013883) is 3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide is C/N=C(\C)C#Cc1cccc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of 3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is SAUWFXVPBODTOC-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-17(24-2)9-10-18-6-5-7-19(16-18)23(28)25-20-11-13-21(14-12-20)26-15-4-3-8-22(26)27/h5-7,11-14,16H,3-4,8,15H2,1-2H3,(H,25,28)/b24-17+.
What are the key properties of 3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyliminobut-1-ynyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 170013883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).