3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide

C17H26BFN2O3S — CID 156845193

IUPAC3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
SMILESCN1CCC(NC(=O)c2sc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1
InChIInChI=1S/C17H26BFN2O3S/c1-16(2)17(3,4)24-18(23-16)13-10-12(19)14(25-13)15(22)20-11-6-8-21(5)9-7-11/h10-11H,6-9H2,1-5H3,(H,20,22)
InChIKeyBULQDPBUHBFMLZ-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.01
Rot. Bonds3

About 3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide

3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide (PubChem CID 156845193) has the molecular formula C17H26BFN2O3S and a molecular weight of 368.28 g/mol. Its IUPAC name is 3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
PubChem CID156845193
Molecular FormulaC17H26BFN2O3S
Molecular Weight368.28 g/mol
Exact Mass368.17
IUPAC Name3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
SMILESCN1CCC(NC(=O)c2sc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1
InChIInChI=1S/C17H26BFN2O3S/c1-16(2)17(3,4)24-18(23-16)13-10-12(19)14(25-13)15(22)20-11-6-8-21(5)9-7-11/h10-11H,6-9H2,1-5H3,(H,20,22)
InChIKeyBULQDPBUHBFMLZ-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide 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-[(6S)-2,2-difluoro-6-methylcyclohexyl]-5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
CID 58046454
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 68777058
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 140766285
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 140766287
N-(2,2-difluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
CID 140766291
CID 156845165
CID 156845165
Tert-butyl 4-[[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonyl]amino]-2-methylpiperidine-1-carboxylate
CID 156845289
Butyl 4-[[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonyl]amino]-2-methylpiperidine-1-carboxylate
CID 175838238
N-(1-Ethylpiperidin-4-YL)-5-fluorothiophene-2-carboxamide
CID 119056283
N-(3,3-Difluorocyclobutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
CID 166174801
N-(4,4-Difluorocyclohexyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
CID 166174805
(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)(4-(trifluoromethyl)piperidin-1-yl)methanone
CID 166174815

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide (CID 156845193) is 3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide is CN1CCC(NC(=O)c2sc(B3OC(C)(C)C(C)(C)O3)cc2F)CC1.
What is the InChIKey of 3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide?
The InChIKey is BULQDPBUHBFMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BFN2O3S/c1-16(2)17(3,4)24-18(23-16)13-10-12(19)14(25-13)15(22)20-11-6-8-21(5)9-7-11/h10-11H,6-9H2,1-5H3,(H,20,22).
What are the key properties of 3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide?
3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide has a molecular weight of 368.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-methylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 156845193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).