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

C20H24ClN3O2S — CID 53149421

IUPACN-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H24ClN3O2S/c1-13(2)18(25)22-10-17-12-27-19(23-17)15-4-3-9-24(11-15)20(26)14-5-7-16(21)8-6-14/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,22,25)
InChIKeySBPQPUFPUOLXBN-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.09
Rot. Bonds5

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

N-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 53149421) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID53149421
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H24ClN3O2S/c1-13(2)18(25)22-10-17-12-27-19(23-17)15-4-3-9-24(11-15)20(26)14-5-7-16(21)8-6-14/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,22,25)
InChIKeySBPQPUFPUOLXBN-UHFFFAOYSA-N
XLogP4.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 53149421) is N-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1csc(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of N-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is SBPQPUFPUOLXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-13(2)18(25)22-10-17-12-27-19(23-17)15-4-3-9-24(11-15)20(26)14-5-7-16(21)8-6-14/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,22,25).
What are the key properties of N-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 405.95 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 53149421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).