N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide

C20H19ClFN3OS — CID 50839572

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CCCN(c2nccc3sccc23)C1
InChIInChI=1S/C20H19ClFN3OS/c21-16-10-13(3-4-17(16)22)11-24-20(26)14-2-1-8-25(12-14)19-15-6-9-27-18(15)5-7-23-19/h3-7,9-10,14H,1-2,8,11-12H2,(H,24,26)
InChIKeyDCGHVTMFDOPMAN-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.62
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 50839572) has the molecular formula C20H19ClFN3OS and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
PubChem CID50839572
Molecular FormulaC20H19ClFN3OS
Molecular Weight403.91 g/mol
Exact Mass403.09
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)C1CCCN(c2nccc3sccc23)C1
InChIInChI=1S/C20H19ClFN3OS/c21-16-10-13(3-4-17(16)22)11-24-20(26)14-2-1-8-25(12-14)19-15-6-9-27-18(15)5-7-23-19/h3-7,9-10,14H,1-2,8,11-12H2,(H,24,26)
InChIKeyDCGHVTMFDOPMAN-UHFFFAOYSA-N
XLogP4.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899054
(3R)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92899035
(3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92899036
N-(3,4-difluorophenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396555
N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839609
(3R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115725
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885146
(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885123
(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396546
(3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 92885044
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide (CID 50839572) is N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)C1CCCN(c2nccc3sccc23)C1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is DCGHVTMFDOPMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3OS/c21-16-10-13(3-4-17(16)22)11-24-20(26)14-2-1-8-25(12-14)19-15-6-9-27-18(15)5-7-23-19/h3-7,9-10,14H,1-2,8,11-12H2,(H,24,26).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 50839572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).