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

C24H29N3OS2 — CID 14426426

IUPACN-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H29N3OS2/c1-3-22(28)27(20-8-5-4-6-9-20)24(23-25-19(2)18-30-23)12-15-26(16-13-24)14-11-21-10-7-17-29-21/h4-10,17-18H,3,11-16H2,1-2H3
InChIKeyNGWYIUXLERGTGP-UHFFFAOYSA-N
MW439.65 g/mol
LogP5.49
Rot. Bonds7

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

N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14426426) has the molecular formula C24H29N3OS2 and a molecular weight of 439.65 g/mol. Its IUPAC name is N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID14426426
Molecular FormulaC24H29N3OS2
Molecular Weight439.65 g/mol
Exact Mass439.18
IUPAC NameN-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H29N3OS2/c1-3-22(28)27(20-8-5-4-6-9-20)24(23-25-19(2)18-30-23)12-15-26(16-13-24)14-11-21-10-7-17-29-21/h4-10,17-18H,3,11-16H2,1-2H3
InChIKeyNGWYIUXLERGTGP-UHFFFAOYSA-N
XLogP5.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.65
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 14426426) is N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCc2cccs2)CC1.
What is the InChIKey of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is NGWYIUXLERGTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3OS2/c1-3-22(28)27(20-8-5-4-6-9-20)24(23-25-19(2)18-30-23)12-15-26(16-13-24)14-11-21-10-7-17-29-21/h4-10,17-18H,3,11-16H2,1-2H3.
What are the key properties of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 439.65 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14426426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).