N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide

C14H20F2N2OS — CID 49072277

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)NC2CCN(CC(F)F)CC2)s1
InChIInChI=1S/C14H20F2N2OS/c1-10-2-3-12(20-10)8-14(19)17-11-4-6-18(7-5-11)9-13(15)16/h2-3,11,13H,4-9H2,1H3,(H,17,19)
InChIKeyRZWDFHIHCNAGNE-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.44
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide (PubChem CID 49072277) has the molecular formula C14H20F2N2OS and a molecular weight of 302.39 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide
PubChem CID49072277
Molecular FormulaC14H20F2N2OS
Molecular Weight302.39 g/mol
Exact Mass302.13
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide
SMILESCc1ccc(CC(=O)NC2CCN(CC(F)F)CC2)s1
InChIInChI=1S/C14H20F2N2OS/c1-10-2-3-12(20-10)8-14(19)17-11-4-6-18(7-5-11)9-13(15)16/h2-3,11,13H,4-9H2,1H3,(H,17,19)
InChIKeyRZWDFHIHCNAGNE-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide (CID 49072277) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide is Cc1ccc(CC(=O)NC2CCN(CC(F)F)CC2)s1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide?
The InChIKey is RZWDFHIHCNAGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2OS/c1-10-2-3-12(20-10)8-14(19)17-11-4-6-18(7-5-11)9-13(15)16/h2-3,11,13H,4-9H2,1H3,(H,17,19).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide has a molecular weight of 302.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide is sourced from PubChem (CID 49072277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).