N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide

C20H20FN3OS — CID 133318641

IUPACN-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2ccnc3ccsc23)CC1
InChIInChI=1S/C20H20FN3OS/c21-16-3-1-14(2-4-16)13-23-20(25)15-6-10-24(11-7-15)18-5-9-22-17-8-12-26-19(17)18/h1-5,8-9,12,15H,6-7,10-11,13H2,(H,23,25)
InChIKeyJLOXMVKKWQNFEF-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.97
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide (PubChem CID 133318641) has the molecular formula C20H20FN3OS and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
PubChem CID133318641
Molecular FormulaC20H20FN3OS
Molecular Weight369.46 g/mol
Exact Mass369.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2ccnc3ccsc23)CC1
InChIInChI=1S/C20H20FN3OS/c21-16-3-1-14(2-4-16)13-23-20(25)15-6-10-24(11-7-15)18-5-9-22-17-8-12-26-19(17)18/h1-5,8-9,12,15H,6-7,10-11,13H2,(H,23,25)
InChIKeyJLOXMVKKWQNFEF-UHFFFAOYSA-N
XLogP3.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133356392
N-[(3-fluoro-4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133317132
1-(6-fluoroquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91952377
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-[(4-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952038
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
(4-fluorophenyl)-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)methanol
CID 133320956
N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide
CID 139997630
(3R)-N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95826652
1-(5-phenylthieno[3,2-b]pyridin-7-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 18465159
N-(2-aminoethyl)-1-[5-(4-fluorophenyl)thieno[3,2-b]pyridin-7-yl]piperidine-4-carboxamide;hydrochloride
CID 70118666
N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 110476602

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide (CID 133318641) is N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(c2ccnc3ccsc23)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide?
The InChIKey is JLOXMVKKWQNFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c21-16-3-1-14(2-4-16)13-23-20(25)15-6-10-24(11-7-15)18-5-9-22-17-8-12-26-19(17)18/h1-5,8-9,12,15H,6-7,10-11,13H2,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide is sourced from PubChem (CID 133318641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).