N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide

C21H21F2N3OS — CID 50839609

IUPACN-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
SMILESCc1cc2c(N3CCCC(C(=O)NCc4cc(F)cc(F)c4)C3)nccc2s1
InChIInChI=1S/C21H21F2N3OS/c1-13-7-18-19(28-13)4-5-24-20(18)26-6-2-3-15(12-26)21(27)25-11-14-8-16(22)10-17(23)9-14/h4-5,7-10,15H,2-3,6,11-12H2,1H3,(H,25,27)
InChIKeyIJXFAXKHLWNADR-UHFFFAOYSA-N
MW401.48 g/mol
LogP4.42
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide (PubChem CID 50839609) has the molecular formula C21H21F2N3OS and a molecular weight of 401.48 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
PubChem CID50839609
Molecular FormulaC21H21F2N3OS
Molecular Weight401.48 g/mol
Exact Mass401.14
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
SMILESCc1cc2c(N3CCCC(C(=O)NCc4cc(F)cc(F)c4)C3)nccc2s1
InChIInChI=1S/C21H21F2N3OS/c1-13-7-18-19(28-13)4-5-24-20(18)26-6-2-3-15(12-26)21(27)25-11-14-8-16(22)10-17(23)9-14/h4-5,7-10,15H,2-3,6,11-12H2,1H3,(H,25,27)
InChIKeyIJXFAXKHLWNADR-UHFFFAOYSA-N
XLogP4.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 92885044
N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839363
N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839463
(3S)-N-[(4-ethylphenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899054
(3R)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 92898998
N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 50839572
(3R)-N-[(3,5-difluorophenyl)methyl]-1-[2-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 92895245
(3S)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92899036
(3R)-1-thieno[3,2-c]pyridin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92899035
(3S)-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(3,5-difluorophenyl)methyl]piperidine-3-carboxamide
CID 95073759
[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
CID 92885007
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
CID 92885018

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide (CID 50839609) is N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide is Cc1cc2c(N3CCCC(C(=O)NCc4cc(F)cc(F)c4)C3)nccc2s1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
The InChIKey is IJXFAXKHLWNADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3OS/c1-13-7-18-19(28-13)4-5-24-20(18)26-6-2-3-15(12-26)21(27)25-11-14-8-16(22)10-17(23)9-14/h4-5,7-10,15H,2-3,6,11-12H2,1H3,(H,25,27).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide has a molecular weight of 401.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50839609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).