1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

C23H24N2OS — CID 39081188

IUPAC1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H24N2OS/c26-22(16-21-17-27-23(24-21)20-9-5-2-6-10-20)25-13-11-19(12-14-25)15-18-7-3-1-4-8-18/h1-10,17,19H,11-16H2
InChIKeyQXZQOSPZPOIHLP-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.83
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone (PubChem CID 39081188) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
PubChem CID39081188
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H24N2OS/c26-22(16-21-17-27-23(24-21)20-9-5-2-6-10-20)25-13-11-19(12-14-25)15-18-7-3-1-4-8-18/h1-10,17,19H,11-16H2
InChIKeyQXZQOSPZPOIHLP-UHFFFAOYSA-N
XLogP4.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanone
CID 110386760
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228041
N,N-dimethyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 78779340
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 131934429
3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110617904
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
1-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 155494152
2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 166104722
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27757217
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119423521

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone (CID 39081188) is 1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2ccccc2)n1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is QXZQOSPZPOIHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c26-22(16-21-17-27-23(24-21)20-9-5-2-6-10-20)25-13-11-19(12-14-25)15-18-7-3-1-4-8-18/h1-10,17,19H,11-16H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 376.53 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 39081188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).