N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

C26H31N3OS — CID 14426424

IUPACN-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H31N3OS/c1-3-24(30)29(23-12-8-5-9-13-23)26(25-27-21(2)20-31-25)15-18-28(19-16-26)17-14-22-10-6-4-7-11-22/h4-13,20H,3,14-19H2,1-2H3
InChIKeyKATBOLJYYSTEGI-UHFFFAOYSA-N
MW433.62 g/mol
LogP5.43
Rot. Bonds7

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

N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14426424) has the molecular formula C26H31N3OS and a molecular weight of 433.62 g/mol. Its IUPAC name is N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID14426424
Molecular FormulaC26H31N3OS
Molecular Weight433.62 g/mol
Exact Mass433.22
IUPAC NameN-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C26H31N3OS/c1-3-24(30)29(23-12-8-5-9-13-23)26(25-27-21(2)20-31-25)15-18-28(19-16-26)17-14-22-10-6-4-7-11-22/h4-13,20H,3,14-19H2,1-2H3
InChIKeyKATBOLJYYSTEGI-UHFFFAOYSA-N
XLogP5.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 14426424) is N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is KATBOLJYYSTEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3OS/c1-3-24(30)29(23-12-8-5-9-13-23)26(25-27-21(2)20-31-25)15-18-28(19-16-26)17-14-22-10-6-4-7-11-22/h4-13,20H,3,14-19H2,1-2H3.
What are the key properties of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 433.62 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14426424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).