1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

C15H24N2O2S — CID 71937726

IUPAC1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)COC1CCN(C(=O)CCc2nccs2)CC1
InChIInChI=1S/C15H24N2O2S/c1-12(2)11-19-13-5-8-17(9-6-13)15(18)4-3-14-16-7-10-20-14/h7,10,12-13H,3-6,8-9,11H2,1-2H3
InChIKeyWJYUIRTVOWUOEZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.74
Rot. Bonds6

About 1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 71937726) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID71937726
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)COC1CCN(C(=O)CCc2nccs2)CC1
InChIInChI=1S/C15H24N2O2S/c1-12(2)11-19-13-5-8-17(9-6-13)15(18)4-3-14-16-7-10-20-14/h7,10,12-13H,3-6,8-9,11H2,1-2H3
InChIKeyWJYUIRTVOWUOEZ-UHFFFAOYSA-N
XLogP2.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-Methyl-4-(1,3-thiazol-2-YL)piperidin-1-YL]-2-(oxan-4-YL)ethanone
CID 110114179
2-Ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110114323
1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906
3-[Methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 75431807
1-(Ethoxyacetyl)-4-{[3-(1,3-thiazol-2-yl)azetidin-1-yl]carbonyl}piperidine
CID 118772008
2-Methylpropanamide;1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one
CID 170759257
4-Morpholin-4-yl-1-(1,3-thiazol-2-yl)butan-1-one
CID 214609
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110716020
1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one
CID 170759258
1-[4-(2-Hydroxybutyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 53616576
2,2-Dimethyl-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]propan-1-one
CID 110244570
Tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate
CID 18538756

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (CID 71937726) is 1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is CC(C)COC1CCN(C(=O)CCc2nccs2)CC1.
What is the InChIKey of 1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is WJYUIRTVOWUOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(2)11-19-13-5-8-17(9-6-13)15(18)4-3-14-16-7-10-20-14/h7,10,12-13H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 296.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropoxy)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 71937726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).