N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride

C21H24ClFN4OS — CID 70118666

IUPACN-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCN(c2cc(-c3ccc(F)cc3)nc3ccsc23)CC1
InChIInChI=1S/C21H23FN4OS.ClH/c22-16-3-1-14(2-4-16)18-13-19(20-17(25-18)7-12-28-20)26-10-5-15(6-11-26)21(27)24-9-8-23;/h1-4,7,12-13,15H,5-6,8-11,23H2,(H,24,27);1H
InChIKeyGALKCBZOKRAQDU-UHFFFAOYSA-N
MW434.97 g/mol
LogP3.82
Rot. Bonds5

About N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 70118666) has the molecular formula C21H24ClFN4OS and a molecular weight of 434.97 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID70118666
Molecular FormulaC21H24ClFN4OS
Molecular Weight434.97 g/mol
Exact Mass434.13
IUPAC NameN-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCN(c2cc(-c3ccc(F)cc3)nc3ccsc23)CC1
InChIInChI=1S/C21H23FN4OS.ClH/c22-16-3-1-14(2-4-16)18-13-19(20-17(25-18)7-12-28-20)26-10-5-15(6-11-26)21(27)24-9-8-23;/h1-4,7,12-13,15H,5-6,8-11,23H2,(H,24,27);1H
InChIKeyGALKCBZOKRAQDU-UHFFFAOYSA-N
XLogP3.82
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-(5-phenylthieno[3,2-b]pyridin-7-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 18465159
ethyl 1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxylate;hydrochloride
CID 70094420
1-(5-pyridin-4-ylthieno[3,2-b]pyridin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 70118258
3-(2-fluorophenyl)-1-[1-(5-phenylthieno[3,2-b]pyridin-7-yl)piperidin-4-yl]propan-1-one
CID 18465162
N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133318641
N-[(3-fluoro-4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133317132
1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60599949
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 53005508
N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187277
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 20906797
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-hexylpiperidine-4-carboxamide
CID 53005503
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride (CID 70118666) is N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCN(c2cc(-c3ccc(F)cc3)nc3ccsc23)CC1.
What is the InChIKey of N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is GALKCBZOKRAQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS.ClH/c22-16-3-1-14(2-4-16)18-13-19(20-17(25-18)7-12-28-20)26-10-5-15(6-11-26)21(27)24-9-8-23;/h1-4,7,12-13,15H,5-6,8-11,23H2,(H,24,27);1H.
What are the key properties of N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 434.97 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 70118666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).