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

C20H24ClN3O2S — CID 53149351

IUPACN-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H24ClN3O2S/c1-2-18(25)22-12-17-13-27-20(23-17)15-7-9-24(10-8-15)19(26)11-14-3-5-16(21)6-4-14/h3-6,13,15H,2,7-12H2,1H3,(H,22,25)
InChIKeyHFGGBUHOYXAURT-UHFFFAOYSA-N
MW405.95 g/mol
LogP3.77
Rot. Bonds6

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

N-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 53149351) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID53149351
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H24ClN3O2S/c1-2-18(25)22-12-17-13-27-20(23-17)15-7-9-24(10-8-15)19(26)11-14-3-5-16(21)6-4-14/h3-6,13,15H,2,7-12H2,1H3,(H,22,25)
InChIKeyHFGGBUHOYXAURT-UHFFFAOYSA-N
XLogP3.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of N-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 53149351) is N-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is CCC(=O)NCc1csc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is HFGGBUHOYXAURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-2-18(25)22-12-17-13-27-20(23-17)15-7-9-24(10-8-15)19(26)11-14-3-5-16(21)6-4-14/h3-6,13,15H,2,7-12H2,1H3,(H,22,25).
What are the key properties of N-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
N-[[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 405.95 g/mol, XLogP of 3.77, 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-(4-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 53149351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).