N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide

C17H22F2N2O — CID 165436163

IUPACN-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide
SMILESCc1cc(C(=O)NC2CC(F)(F)C2)cc(C2CCNCC2)c1
InChIInChI=1S/C17H22F2N2O/c1-11-6-13(12-2-4-20-5-3-12)8-14(7-11)16(22)21-15-9-17(18,19)10-15/h6-8,12,15,20H,2-5,9-10H2,1H3,(H,21,22)
InChIKeyQSIDNKZYXXZHQK-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.99
Rot. Bonds3

About N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide

N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide (PubChem CID 165436163) has the molecular formula C17H22F2N2O and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide
PubChem CID165436163
Molecular FormulaC17H22F2N2O
Molecular Weight308.37 g/mol
Exact Mass308.17
IUPAC NameN-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide
SMILESCc1cc(C(=O)NC2CC(F)(F)C2)cc(C2CCNCC2)c1
InChIInChI=1S/C17H22F2N2O/c1-11-6-13(12-2-4-20-5-3-12)8-14(7-11)16(22)21-15-9-17(18,19)10-15/h6-8,12,15,20H,2-5,9-10H2,1H3,(H,21,22)
InChIKeyQSIDNKZYXXZHQK-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide 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-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436162
N-cyclohexyl-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436170
3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436172
3-methyl-N-(1-methylpiperidin-4-yl)-5-piperidin-4-ylbenzamide
CID 165436175
3-methyl-N-(oxolan-3-yl)-5-piperidin-4-ylbenzamide
CID 165436167
(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
CID 165436193
3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436136
N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
CID 166176264
N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 164875123
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 99618356
N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
CID 166176272
N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365215

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide (CID 165436163) is N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide is Cc1cc(C(=O)NC2CC(F)(F)C2)cc(C2CCNCC2)c1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide?
The InChIKey is QSIDNKZYXXZHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O/c1-11-6-13(12-2-4-20-5-3-12)8-14(7-11)16(22)21-15-9-17(18,19)10-15/h6-8,12,15,20H,2-5,9-10H2,1H3,(H,21,22).
What are the key properties of N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide?
N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide has a molecular weight of 308.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide is sourced from PubChem (CID 165436163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).