N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide

C25H28FN3OS — CID 14426412

IUPACN-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nccs2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H28FN3OS/c1-2-23(30)29(22-11-7-6-10-21(22)26)25(24-27-15-19-31-24)13-17-28(18-14-25)16-12-20-8-4-3-5-9-20/h3-11,15,19H,2,12-14,16-18H2,1H3
InChIKeyWLCRISJVGHWKET-UHFFFAOYSA-N
MW437.58 g/mol
LogP5.26
Rot. Bonds7

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

N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide (PubChem CID 14426412) has the molecular formula C25H28FN3OS and a molecular weight of 437.58 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
PubChem CID14426412
Molecular FormulaC25H28FN3OS
Molecular Weight437.58 g/mol
Exact Mass437.19
IUPAC NameN-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nccs2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H28FN3OS/c1-2-23(30)29(22-11-7-6-10-21(22)26)25(24-27-15-19-31-24)13-17-28(18-14-25)16-12-20-8-4-3-5-9-20/h3-11,15,19H,2,12-14,16-18H2,1H3
InChIKeyWLCRISJVGHWKET-UHFFFAOYSA-N
XLogP5.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide (CID 14426412) is N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1F)C1(c2nccs2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The InChIKey is WLCRISJVGHWKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3OS/c1-2-23(30)29(22-11-7-6-10-21(22)26)25(24-27-15-19-31-24)13-17-28(18-14-25)16-12-20-8-4-3-5-9-20/h3-11,15,19H,2,12-14,16-18H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide has a molecular weight of 437.58 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 14426412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).