4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide

C17H19FN2OS — CID 174518113

IUPAC4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide
SMILESO=C(Nc1ccsc1)c1ccc(CN2CCC(F)CC2)cc1
InChIInChI=1S/C17H19FN2OS/c18-15-5-8-20(9-6-15)11-13-1-3-14(4-2-13)17(21)19-16-7-10-22-12-16/h1-4,7,10,12,15H,5-6,8-9,11H2,(H,19,21)
InChIKeyAPOHLSUWKLDCCV-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.93
Rot. Bonds4

About 4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide

4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide (PubChem CID 174518113) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide
PubChem CID174518113
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide
SMILESO=C(Nc1ccsc1)c1ccc(CN2CCC(F)CC2)cc1
InChIInChI=1S/C17H19FN2OS/c18-15-5-8-20(9-6-15)11-13-1-3-14(4-2-13)17(21)19-16-7-10-22-12-16/h1-4,7,10,12,15H,5-6,8-9,11H2,(H,19,21)
InChIKeyAPOHLSUWKLDCCV-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 174503984
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-fluorobenzamide
CID 44526994
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
4-chloro-N-thiophen-3-ylbenzamide
CID 174503980
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide
CID 55703679
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide?
The IUPAC name of 4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide (CID 174518113) is 4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide.
What is the SMILES notation for 4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide?
The canonical SMILES for 4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide is O=C(Nc1ccsc1)c1ccc(CN2CCC(F)CC2)cc1.
What is the InChIKey of 4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide?
The InChIKey is APOHLSUWKLDCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c18-15-5-8-20(9-6-15)11-13-1-3-14(4-2-13)17(21)19-16-7-10-22-12-16/h1-4,7,10,12,15H,5-6,8-9,11H2,(H,19,21).
What are the key properties of 4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide?
4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide has a molecular weight of 318.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide is sourced from PubChem (CID 174518113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).