N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide

C19H23N3O2S — CID 71842245

IUPACN-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCN(C(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C19H23N3O2S/c1-13-5-3-4-6-17(13)19(24)22-9-7-15(8-10-22)18-21-16(12-25-18)11-20-14(2)23/h3-6,12,15H,7-11H2,1-2H3,(H,20,23)
InChIKeyHPBVFKVRQIJVJO-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.11
Rot. Bonds4

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

N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 71842245) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID71842245
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1csc(C2CCN(C(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C19H23N3O2S/c1-13-5-3-4-6-17(13)19(24)22-9-7-15(8-10-22)18-21-16(12-25-18)11-20-14(2)23/h3-6,12,15H,7-11H2,1-2H3,(H,20,23)
InChIKeyHPBVFKVRQIJVJO-UHFFFAOYSA-N
XLogP3.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.11
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-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide (CID 71842245) is N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is CC(=O)NCc1csc(C2CCN(C(=O)c3ccccc3C)CC2)n1.
What is the InChIKey of N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is HPBVFKVRQIJVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-5-3-4-6-17(13)19(24)22-9-7-15(8-10-22)18-21-16(12-25-18)11-20-14(2)23/h3-6,12,15H,7-11H2,1-2H3,(H,20,23).
What are the key properties of N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide?
N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 71842245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).