1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide

C15H23F2N3OS — CID 100679368

IUPAC1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCc1cnc(C(C)(C)NC(=O)C2CCN(CC(F)F)CC2)s1
InChIInChI=1S/C15H23F2N3OS/c1-10-8-18-14(22-10)15(2,3)19-13(21)11-4-6-20(7-5-11)9-12(16)17/h8,11-12H,4-7,9H2,1-3H3,(H,19,21)
InChIKeyFFIJVTOPZPEBEE-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.78
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide

1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide (PubChem CID 100679368) has the molecular formula C15H23F2N3OS and a molecular weight of 331.43 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
PubChem CID100679368
Molecular FormulaC15H23F2N3OS
Molecular Weight331.43 g/mol
Exact Mass331.15
IUPAC Name1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCc1cnc(C(C)(C)NC(=O)C2CCN(CC(F)F)CC2)s1
InChIInChI=1S/C15H23F2N3OS/c1-10-8-18-14(22-10)15(2,3)19-13(21)11-4-6-20(7-5-11)9-12(16)17/h8,11-12H,4-7,9H2,1-3H3,(H,19,21)
InChIKeyFFIJVTOPZPEBEE-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide (CID 100679368) is 1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide is Cc1cnc(C(C)(C)NC(=O)C2CCN(CC(F)F)CC2)s1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is FFIJVTOPZPEBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3OS/c1-10-8-18-14(22-10)15(2,3)19-13(21)11-4-6-20(7-5-11)9-12(16)17/h8,11-12H,4-7,9H2,1-3H3,(H,19,21).
What are the key properties of 1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide?
1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 331.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 100679368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).