(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone

C17H17F2NOS — CID 110289472

IUPAC(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C17H17F2NOS/c18-15-4-3-13(11-16(15)19)17(21)20-7-5-12(6-8-20)10-14-2-1-9-22-14/h1-4,9,11-12H,5-8,10H2
InChIKeyWARPMANXOFGKLK-UHFFFAOYSA-N
MW321.39 g/mol
LogP4.12
Rot. Bonds3

About (3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone

(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110289472) has the molecular formula C17H17F2NOS and a molecular weight of 321.39 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID110289472
Molecular FormulaC17H17F2NOS
Molecular Weight321.39 g/mol
Exact Mass321.10
IUPAC Name(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C17H17F2NOS/c18-15-4-3-13(11-16(15)19)17(21)20-7-5-12(6-8-20)10-14-2-1-9-22-14/h1-4,9,11-12H,5-8,10H2
InChIKeyWARPMANXOFGKLK-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289447
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200
(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086552
2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289457
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
CID 110289429
2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289456
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973358
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628471
(4-benzylpiperidin-1-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 46086895
1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110628433

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone (CID 110289472) is (3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCC(Cc2cccs2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is WARPMANXOFGKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NOS/c18-15-4-3-13(11-16(15)19)17(21)20-7-5-12(6-8-20)10-14-2-1-9-22-14/h1-4,9,11-12H,5-8,10H2.
What are the key properties of (3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 321.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110289472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).