4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide

C18H20F3N3O2 — CID 138617831

IUPAC4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
SMILESCC(C)(C(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F
InChIInChI=1S/C18H20F3N3O2/c1-17(2,18(19,20)21)16(26)24-9-7-14(8-10-24)23-15(25)13-5-3-12(11-22)4-6-13/h3-6,14H,7-10H2,1-2H3,(H,23,25)
InChIKeyKPIHKONRMJHEEF-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.87
Rot. Bonds3

About 4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide

4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide (PubChem CID 138617831) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
PubChem CID138617831
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
SMILESCC(C)(C(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F
InChIInChI=1S/C18H20F3N3O2/c1-17(2,18(19,20)21)16(26)24-9-7-14(8-10-24)23-15(25)13-5-3-12(11-22)4-6-13/h3-6,14H,7-10H2,1-2H3,(H,23,25)
InChIKeyKPIHKONRMJHEEF-UHFFFAOYSA-N
XLogP2.87
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide 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

N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
4-cyano-N-[1-[3-(4-fluorophenyl)pyrazolidine-4-carbonyl]piperidin-4-yl]benzamide
CID 75270702
4-cyano-N-[(3R)-1-[(S)-(4-cyanophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 16734720
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
CID 64724364
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404
4-cyano-N-(3-methylcyclohexyl)benzamide
CID 43244094
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide (CID 138617831) is 4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide is CC(C)(C(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F.
What is the InChIKey of 4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide?
The InChIKey is KPIHKONRMJHEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-17(2,18(19,20)21)16(26)24-9-7-14(8-10-24)23-15(25)13-5-3-12(11-22)4-6-13/h3-6,14H,7-10H2,1-2H3,(H,23,25).
What are the key properties of 4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide?
4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide has a molecular weight of 367.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 138617831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).