(4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone

C18H21F2N3OS — CID 163346052

IUPAC(4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2nccc3sccc23)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H21F2N3OS/c19-18(20)5-10-23(11-6-18)17(24)13-2-8-22(9-3-13)16-14-4-12-25-15(14)1-7-21-16/h1,4,7,12-13H,2-3,5-6,8-11H2
InChIKeySCUNJPLWGJBGRD-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.77
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone

(4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone (PubChem CID 163346052) has the molecular formula C18H21F2N3OS and a molecular weight of 365.45 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone
PubChem CID163346052
Molecular FormulaC18H21F2N3OS
Molecular Weight365.45 g/mol
Exact Mass365.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2nccc3sccc23)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H21F2N3OS/c19-18(20)5-10-23(11-6-18)17(24)13-2-8-22(9-3-13)16-14-4-12-25-15(14)1-7-21-16/h1,4,7,12-13H,2-3,5-6,8-11H2
InChIKeySCUNJPLWGJBGRD-UHFFFAOYSA-N
XLogP3.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone (CID 163346052) is (4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone is O=C(C1CCN(c2nccc3sccc23)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone?
The InChIKey is SCUNJPLWGJBGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3OS/c19-18(20)5-10-23(11-6-18)17(24)13-2-8-22(9-3-13)16-14-4-12-25-15(14)1-7-21-16/h1,4,7,12-13H,2-3,5-6,8-11H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone has a molecular weight of 365.45 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 163346052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).