1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide

C19H24N4O2S — CID 163368434

IUPAC1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(C)cc3)CC2)s1
InChIInChI=1S/C19H24N4O2S/c1-13-3-5-16(6-4-13)22-18(25)15-7-9-23(10-8-15)12-17-11-20-19(26-17)21-14(2)24/h3-6,11,15H,7-10,12H2,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyCTRBNPCWVIJVQA-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.26
Rot. Bonds5

About 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 163368434) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
PubChem CID163368434
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(C)cc3)CC2)s1
InChIInChI=1S/C19H24N4O2S/c1-13-3-5-16(6-4-13)22-18(25)15-7-9-23(10-8-15)12-17-11-20-19(26-17)21-14(2)24/h3-6,11,15H,7-10,12H2,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyCTRBNPCWVIJVQA-UHFFFAOYSA-N
XLogP3.26
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide (CID 163368434) is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide is CC(=O)Nc1ncc(CN2CCC(C(=O)Nc3ccc(C)cc3)CC2)s1.
What is the InChIKey of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is CTRBNPCWVIJVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13-3-5-16(6-4-13)22-18(25)15-7-9-23(10-8-15)12-17-11-20-19(26-17)21-14(2)24/h3-6,11,15H,7-10,12H2,1-2H3,(H,22,25)(H,20,21,24).
What are the key properties of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide?
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 163368434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).