1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one

C14H22N2O2S — CID 116572254

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one
SMILESCc1nc(CC(=O)CCOC2CCNCC2)sc1C
InChIInChI=1S/C14H22N2O2S/c1-10-11(2)19-14(16-10)9-12(17)5-8-18-13-3-6-15-7-4-13/h13,15H,3-9H2,1-2H3
InChIKeyJSGOMJMLGBRMPX-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.03
Rot. Bonds6

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one

1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one (PubChem CID 116572254) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one
PubChem CID116572254
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one
SMILESCc1nc(CC(=O)CCOC2CCNCC2)sc1C
InChIInChI=1S/C14H22N2O2S/c1-10-11(2)19-14(16-10)9-12(17)5-8-18-13-3-6-15-7-4-13/h13,15H,3-9H2,1-2H3
InChIKeyJSGOMJMLGBRMPX-UHFFFAOYSA-N
XLogP2.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one
CID 116572330
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572314
1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572333
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568033
1-piperidin-4-yloxyhex-5-en-3-one
CID 116572160
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one
CID 65168530
1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 103052354
1-piperidin-4-yloxyhept-6-yn-3-one
CID 116572339
1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572161
1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572237
N-methyl-3-piperidin-4-yloxy-N-propan-2-ylpropanamide
CID 63876646
3-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 115789480

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one (CID 116572254) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one is Cc1nc(CC(=O)CCOC2CCNCC2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one?
The InChIKey is JSGOMJMLGBRMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-11(2)19-14(16-10)9-12(17)5-8-18-13-3-6-15-7-4-13/h13,15H,3-9H2,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one has a molecular weight of 282.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one is sourced from PubChem (CID 116572254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).