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

C24H28FN3OS2 — CID 14426407

IUPACN-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H28FN3OS2/c1-3-22(29)28(21-9-5-4-8-20(21)25)24(23-26-18(2)17-31-23)11-14-27(15-12-24)13-10-19-7-6-16-30-19/h4-9,16-17H,3,10-15H2,1-2H3
InChIKeyRHPDRPGPBGLYLL-UHFFFAOYSA-N
MW457.64 g/mol
LogP5.63
Rot. Bonds7

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

N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide (PubChem CID 14426407) has the molecular formula C24H28FN3OS2 and a molecular weight of 457.64 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
PubChem CID14426407
Molecular FormulaC24H28FN3OS2
Molecular Weight457.64 g/mol
Exact Mass457.17
IUPAC NameN-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H28FN3OS2/c1-3-22(29)28(21-9-5-4-8-20(21)25)24(23-26-18(2)17-31-23)11-14-27(15-12-24)13-10-19-7-6-16-30-19/h4-9,16-17H,3,10-15H2,1-2H3
InChIKeyRHPDRPGPBGLYLL-UHFFFAOYSA-N
XLogP5.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.64
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide (CID 14426407) is N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2cccs2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide?
The InChIKey is RHPDRPGPBGLYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3OS2/c1-3-22(29)28(21-9-5-4-8-20(21)25)24(23-26-18(2)17-31-23)11-14-27(15-12-24)13-10-19-7-6-16-30-19/h4-9,16-17H,3,10-15H2,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide?
N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide has a molecular weight of 457.64 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 14426407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).