N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide

C15H23F2N3OS — CID 175648635

IUPACN-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
SMILESCc1nc(C)c(CN2CCC(CC(=O)NCC(F)F)CC2)s1
InChIInChI=1S/C15H23F2N3OS/c1-10-13(22-11(2)19-10)9-20-5-3-12(4-6-20)7-15(21)18-8-14(16)17/h12,14H,3-9H2,1-2H3,(H,18,21)
InChIKeyOQCFWHKKTGTBMY-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.74
Rot. Bonds6

About N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 175648635) has the molecular formula C15H23F2N3OS and a molecular weight of 331.43 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
PubChem CID175648635
Molecular FormulaC15H23F2N3OS
Molecular Weight331.43 g/mol
Exact Mass331.15
IUPAC NameN-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
SMILESCc1nc(C)c(CN2CCC(CC(=O)NCC(F)F)CC2)s1
InChIInChI=1S/C15H23F2N3OS/c1-10-13(22-11(2)19-10)9-20-5-3-12(4-6-20)7-15(21)18-8-14(16)17/h12,14H,3-9H2,1-2H3,(H,18,21)
InChIKeyOQCFWHKKTGTBMY-UHFFFAOYSA-N
XLogP2.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide (CID 175648635) is N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide is Cc1nc(C)c(CN2CCC(CC(=O)NCC(F)F)CC2)s1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is OQCFWHKKTGTBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3OS/c1-10-13(22-11(2)19-10)9-20-5-3-12(4-6-20)7-15(21)18-8-14(16)17/h12,14H,3-9H2,1-2H3,(H,18,21).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 331.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 175648635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).