4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C17H21N3OS — CID 86986848

IUPAC4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H21N3OS/c1-13-12-22-16(18-13)19-17(21)20-9-7-15(8-10-20)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,18,19,21)
InChIKeyHRYJVVIWVCCSFK-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.94
Rot. Bonds3

About 4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 86986848) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID86986848
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H21N3OS/c1-13-12-22-16(18-13)19-17(21)20-9-7-15(8-10-20)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,18,19,21)
InChIKeyHRYJVVIWVCCSFK-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228041
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 86986741
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
1-[2-(2-benzylphenoxy)acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952016
N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 167903662
4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 111109253
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717847

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 86986848) is 4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is Cc1csc(NC(=O)N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is HRYJVVIWVCCSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-12-22-16(18-13)19-17(21)20-9-7-15(8-10-20)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,18,19,21).
What are the key properties of 4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 86986848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).