(3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone

C16H23F2NOS — CID 155457670

IUPAC(3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(F)(F)C2)sc1C(C)C
InChIInChI=1S/C16H23F2NOS/c1-10(2)12-8-13(21-14(12)11(3)4)15(20)19-7-5-6-16(17,18)9-19/h8,10-11H,5-7,9H2,1-4H3
InChIKeyFWHINAJAYCDDJG-UHFFFAOYSA-N
MW315.43 g/mol
LogP4.87
Rot. Bonds3

About (3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone

(3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone (PubChem CID 155457670) has the molecular formula C16H23F2NOS and a molecular weight of 315.43 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone
PubChem CID155457670
Molecular FormulaC16H23F2NOS
Molecular Weight315.43 g/mol
Exact Mass315.15
IUPAC Name(3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(F)(F)C2)sc1C(C)C
InChIInChI=1S/C16H23F2NOS/c1-10(2)12-8-13(21-14(12)11(3)4)15(20)19-7-5-6-16(17,18)9-19/h8,10-11H,5-7,9H2,1-4H3
InChIKeyFWHINAJAYCDDJG-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4,5-di(propan-2-yl)thiophen-2-yl]-piperidin-1-ylmethanone
CID 155457468
[4,5-di(propan-2-yl)thiophen-2-yl]-(4-fluoro-4-methylpiperidin-1-yl)methanone
CID 157109144
(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 155572084
(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone
CID 116991445
(3,3-difluoropiperidin-1-yl)-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone;methane
CID 158430581
CID 175633312
CID 175633312
(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 145336249
(3,3-difluoropiperidin-1-yl)-(4-methyl-3-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171361863
cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
CID 45183183
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(3,3-difluoropiperidin-1-yl)methanone
CID 176731327
(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
CID 153498765

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone (CID 155457670) is (3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone is CC(C)c1cc(C(=O)N2CCCC(F)(F)C2)sc1C(C)C.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone?
The InChIKey is FWHINAJAYCDDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NOS/c1-10(2)12-8-13(21-14(12)11(3)4)15(20)19-7-5-6-16(17,18)9-19/h8,10-11H,5-7,9H2,1-4H3.
What are the key properties of (3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone?
(3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone has a molecular weight of 315.43 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-[4,5-di(propan-2-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 155457670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).