4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide

C20H26N4O2S — CID 53149528

IUPAC4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide
SMILESCC(=O)NCCc1csc(C2CCN(C(=O)NCc3ccccc3)CC2)n1
InChIInChI=1S/C20H26N4O2S/c1-15(25)21-10-7-18-14-27-19(23-18)17-8-11-24(12-9-17)20(26)22-13-16-5-3-2-4-6-16/h2-6,14,17H,7-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyQFEGPYBBBHRWDD-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.91
Rot. Bonds6

About 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide

4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide (PubChem CID 53149528) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide
PubChem CID53149528
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide
SMILESCC(=O)NCCc1csc(C2CCN(C(=O)NCc3ccccc3)CC2)n1
InChIInChI=1S/C20H26N4O2S/c1-15(25)21-10-7-18-14-27-19(23-18)17-8-11-24(12-9-17)20(26)22-13-16-5-3-2-4-6-16/h2-6,14,17H,7-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyQFEGPYBBBHRWDD-UHFFFAOYSA-N
XLogP2.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841963
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-cyclohexylpiperidine-1-carboxamide
CID 53149526
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 71841879
N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841986
4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 71841858
N-(2-fluorophenyl)-4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 53149546
N-tert-butyl-4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 71841869
N-[2-[2-(1-benzoylpiperidin-4-yl)-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 53149524
N-cyclopentyl-4-[4-[2-(propanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 71841862
1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
CID 67156872
N-[2-[2-[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097266
N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841884

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide (CID 53149528) is 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide is CC(=O)NCCc1csc(C2CCN(C(=O)NCc3ccccc3)CC2)n1.
What is the InChIKey of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide?
The InChIKey is QFEGPYBBBHRWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-15(25)21-10-7-18-14-27-19(23-18)17-8-11-24(12-9-17)20(26)22-13-16-5-3-2-4-6-16/h2-6,14,17H,7-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide?
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide is sourced from PubChem (CID 53149528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).