N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

C21H26ClN3O2S — CID 53149357

IUPACN-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n1
InChIInChI=1S/C21H26ClN3O2S/c1-14(2)20(27)23-12-17-13-28-21(24-17)15-7-9-25(10-8-15)19(26)11-16-5-3-4-6-18(16)22/h3-6,13-15H,7-12H2,1-2H3,(H,23,27)
InChIKeyQLXFSFMAEZNPPR-UHFFFAOYSA-N
MW419.98 g/mol
LogP4.02
Rot. Bonds6

About N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 53149357) has the molecular formula C21H26ClN3O2S and a molecular weight of 419.98 g/mol. Its IUPAC name is N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID53149357
Molecular FormulaC21H26ClN3O2S
Molecular Weight419.98 g/mol
Exact Mass419.14
IUPAC NameN-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n1
InChIInChI=1S/C21H26ClN3O2S/c1-14(2)20(27)23-12-17-13-28-21(24-17)15-7-9-25(10-8-15)19(26)11-16-5-3-4-6-18(16)22/h3-6,13-15H,7-12H2,1-2H3,(H,23,27)
InChIKeyQLXFSFMAEZNPPR-UHFFFAOYSA-N
XLogP4.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 53149357) is N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1csc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n1.
What is the InChIKey of N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is QLXFSFMAEZNPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2S/c1-14(2)20(27)23-12-17-13-28-21(24-17)15-7-9-25(10-8-15)19(26)11-16-5-3-4-6-18(16)22/h3-6,13-15H,7-12H2,1-2H3,(H,23,27).
What are the key properties of N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 419.98 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 53149357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).