N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide

C24H26FN3OS — CID 45199120

IUPACN-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2cnc(-c3ccccc3)s2)C1)Nc1ccccc1F
InChIInChI=1S/C24H26FN3OS/c25-21-10-4-5-11-22(21)27-23(29)13-12-18-7-6-14-28(16-18)17-20-15-26-24(30-20)19-8-2-1-3-9-19/h1-5,8-11,15,18H,6-7,12-14,16-17H2,(H,27,29)
InChIKeyTYZPNLREMGWWBJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.58
Rot. Bonds7

About N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide

N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 45199120) has the molecular formula C24H26FN3OS and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
PubChem CID45199120
Molecular FormulaC24H26FN3OS
Molecular Weight423.56 g/mol
Exact Mass423.18
IUPAC NameN-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(Cc2cnc(-c3ccccc3)s2)C1)Nc1ccccc1F
InChIInChI=1S/C24H26FN3OS/c25-21-10-4-5-11-22(21)27-23(29)13-12-18-7-6-14-28(16-18)17-20-15-26-24(30-20)19-8-2-1-3-9-19/h1-5,8-11,15,18H,6-7,12-14,16-17H2,(H,27,29)
InChIKeyTYZPNLREMGWWBJ-UHFFFAOYSA-N
XLogP5.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide (CID 45199120) is N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide is O=C(CCC1CCCN(Cc2cnc(-c3ccccc3)s2)C1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is TYZPNLREMGWWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3OS/c25-21-10-4-5-11-22(21)27-23(29)13-12-18-7-6-14-28(16-18)17-20-15-26-24(30-20)19-8-2-1-3-9-19/h1-5,8-11,15,18H,6-7,12-14,16-17H2,(H,27,29).
What are the key properties of N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?
N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 423.56 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45199120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).