6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone

C20H23FN2OS — CID 95145172

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2sccc2C1
InChIInChI=1S/C20H23FN2OS/c21-18-5-1-3-15(11-18)12-22-8-2-4-17(13-22)20(24)23-9-6-19-16(14-23)7-10-25-19/h1,3,5,7,10-11,17H,2,4,6,8-9,12-14H2/t17-/m0/s1
InChIKeyKIDAXZSOYVGJDP-KRWDZBQOSA-N
MW358.48 g/mol
LogP3.68
Rot. Bonds3

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 95145172) has the molecular formula C20H23FN2OS and a molecular weight of 358.48 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
PubChem CID95145172
Molecular FormulaC20H23FN2OS
Molecular Weight358.48 g/mol
Exact Mass358.15
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2sccc2C1
InChIInChI=1S/C20H23FN2OS/c21-18-5-1-3-15(11-18)12-22-8-2-4-17(13-22)20(24)23-9-6-19-16(14-23)7-10-25-19/h1,3,5,7,10-11,17H,2,4,6,8-9,12-14H2/t17-/m0/s1
InChIKeyKIDAXZSOYVGJDP-KRWDZBQOSA-N
XLogP3.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349333
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
CID 171995342
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3747490
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 171993747
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 1400992
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone (CID 95145172) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone is O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is KIDAXZSOYVGJDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN2OS/c21-18-5-1-3-15(11-18)12-22-8-2-4-17(13-22)20(24)23-9-6-19-16(14-23)7-10-25-19/h1,3,5,7,10-11,17H,2,4,6,8-9,12-14H2/t17-/m0/s1.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 358.48 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 95145172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).