1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one

C13H20N2O2S — CID 71931491

IUPAC1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCOC1CCN(C(=O)CCc2csc(C)n2)CC1
InChIInChI=1S/C13H20N2O2S/c1-10-14-11(9-18-10)3-4-13(16)15-7-5-12(17-2)6-8-15/h9,12H,3-8H2,1-2H3
InChIKeyQYFMRMQEIXRFFS-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.02
Rot. Bonds4

About 1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one

1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 71931491) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
PubChem CID71931491
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCOC1CCN(C(=O)CCc2csc(C)n2)CC1
InChIInChI=1S/C13H20N2O2S/c1-10-14-11(9-18-10)3-4-13(16)15-7-5-12(17-2)6-8-15/h9,12H,3-8H2,1-2H3
InChIKeyQYFMRMQEIXRFFS-UHFFFAOYSA-N
XLogP2.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-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-(3-aminopropoxy)piperidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 119662335
ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486208
3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103486210
ethyl 1-[3-(2-methyl-1,3-thiazol-4-yl)propanoyl]piperidine-3-carboxylate
CID 110678658
ethyl 4-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]piperidine-1-carboxylate
CID 110332728
1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 96529429
(2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone
CID 102561731
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 110332735
3-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91842742
3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738
2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 43747634
(1R,6S,7S)-3-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254800

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one (CID 71931491) is 1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one is COC1CCN(C(=O)CCc2csc(C)n2)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is QYFMRMQEIXRFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-14-11(9-18-10)3-4-13(16)15-7-5-12(17-2)6-8-15/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 268.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 71931491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).