N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide

C18H22FN3OS — CID 164610288

IUPACN-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H22FN3OS/c19-15-8-6-14(7-9-15)18-20-13-17(24-18)21-16(23)5-4-12-22-10-2-1-3-11-22/h6-9,13H,1-5,10-12H2,(H,21,23)
InChIKeyBWGYNDZATYUGOT-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.15
Rot. Bonds6

About N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide

N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide (PubChem CID 164610288) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide
PubChem CID164610288
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC NameN-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H22FN3OS/c19-15-8-6-14(7-9-15)18-20-13-17(24-18)21-16(23)5-4-12-22-10-2-1-3-11-22/h6-9,13H,1-5,10-12H2,(H,21,23)
InChIKeyBWGYNDZATYUGOT-UHFFFAOYSA-N
XLogP4.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide (CID 164610288) is N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide is O=C(CCCN1CCCCC1)Nc1cnc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is BWGYNDZATYUGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c19-15-8-6-14(7-9-15)18-20-13-17(24-18)21-16(23)5-4-12-22-10-2-1-3-11-22/h6-9,13H,1-5,10-12H2,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide?
N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 347.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 164610288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).