1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one

C21H28N2OS — CID 67156872

IUPAC1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(c2nc(CCc3ccccc3)cs2)CC1
InChIInChI=1S/C21H28N2OS/c1-2-3-9-20(24)23-14-12-18(13-15-23)21-22-19(16-25-21)11-10-17-7-5-4-6-8-17/h4-8,16,18H,2-3,9-15H2,1H3
InChIKeyDWDBHDPZRPUUME-UHFFFAOYSA-N
MW356.54 g/mol
LogP4.82
Rot. Bonds7

About 1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one

1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one (PubChem CID 67156872) has the molecular formula C21H28N2OS and a molecular weight of 356.54 g/mol. Its IUPAC name is 1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
PubChem CID67156872
Molecular FormulaC21H28N2OS
Molecular Weight356.54 g/mol
Exact Mass356.19
IUPAC Name1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(c2nc(CCc3ccccc3)cs2)CC1
InChIInChI=1S/C21H28N2OS/c1-2-3-9-20(24)23-14-12-18(13-15-23)21-22-19(16-25-21)11-10-17-7-5-4-6-8-17/h4-8,16,18H,2-3,9-15H2,1H3
InChIKeyDWDBHDPZRPUUME-UHFFFAOYSA-N
XLogP4.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-benzylpiperidine-1-carboxamide
CID 53149528
2-(1-hexanoylpiperidin-4-yl)-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 71025983
heptane;N-(2-methylphenyl)-2-[1-(4-oxopentanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982967
4-butyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 70641697
4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
N-(2-tert-butylphenyl)-2-(1-hexanoylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 142983032
4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119183737
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95767945
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087902
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one
CID 110612137

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one (CID 67156872) is 1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(c2nc(CCc3ccccc3)cs2)CC1.
What is the InChIKey of 1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?
The InChIKey is DWDBHDPZRPUUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-2-3-9-20(24)23-14-12-18(13-15-23)21-22-19(16-25-21)11-10-17-7-5-4-6-8-17/h4-8,16,18H,2-3,9-15H2,1H3.
What are the key properties of 1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?
1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one has a molecular weight of 356.54 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 67156872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).