N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

C21H24FN3O2S — CID 71841902

IUPACN-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1csc(C2CCN(C(=O)c3ccccc3F)CC2)n1)C1CC1
InChIInChI=1S/C21H24FN3O2S/c22-18-4-2-1-3-17(18)21(27)25-11-8-15(9-12-25)20-24-16(13-28-20)7-10-23-19(26)14-5-6-14/h1-4,13-15H,5-12H2,(H,23,26)
InChIKeyZKHKALGWHGFASX-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide

N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841902) has the molecular formula C21H24FN3O2S and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841902
Molecular FormulaC21H24FN3O2S
Molecular Weight401.51 g/mol
Exact Mass401.16
IUPAC NameN-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1csc(C2CCN(C(=O)c3ccccc3F)CC2)n1)C1CC1
InChIInChI=1S/C21H24FN3O2S/c22-18-4-2-1-3-17(18)21(27)25-11-8-15(9-12-25)20-24-16(13-28-20)7-10-23-19(26)14-5-6-14/h1-4,13-15H,5-12H2,(H,23,26)
InChIKeyZKHKALGWHGFASX-UHFFFAOYSA-N
XLogP3.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841888
N-[[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71842190
N-[2-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841895
N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841884
N-[2-[2-(1-benzoylpiperidin-4-yl)-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 53149524
N-[2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841887
N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841889
N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841986
N-(2-fluorophenyl)-4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 53149546
N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841693
N-[[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 71842225
N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841940

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841902) is N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is O=C(NCCc1csc(C2CCN(C(=O)c3ccccc3F)CC2)n1)C1CC1.
What is the InChIKey of N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is ZKHKALGWHGFASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2S/c22-18-4-2-1-3-17(18)21(27)25-11-8-15(9-12-25)20-24-16(13-28-20)7-10-23-19(26)14-5-6-14/h1-4,13-15H,5-12H2,(H,23,26).
What are the key properties of N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).