3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

C18H28N2O3S — CID 170757882

IUPAC3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCC(c2nccs2)CC1)OCC1CCOCC1
InChIInChI=1S/C18H28N2O3S/c1-14(23-13-15-4-9-22-10-5-15)12-17(21)20-7-2-16(3-8-20)18-19-6-11-24-18/h6,11,14-16H,2-5,7-10,12-13H2,1H3
InChIKeyPOJNFIFLNIYTDQ-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.07
Rot. Bonds6

About 3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 170757882) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID170757882
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCC(c2nccs2)CC1)OCC1CCOCC1
InChIInChI=1S/C18H28N2O3S/c1-14(23-13-15-4-9-22-10-5-15)12-17(21)20-7-2-16(3-8-20)18-19-6-11-24-18/h6,11,14-16H,2-5,7-10,12-13H2,1H3
InChIKeyPOJNFIFLNIYTDQ-UHFFFAOYSA-N
XLogP3.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-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

Oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 97370622
1-[4-Methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 110114179
1-[4-Methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110114272
Oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 118741024
Oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 118741025
1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906
2-Methylpropanamide;1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one
CID 170759257
1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one
CID 170759258
Dimethylphosphane;formamide;3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 170757881
(2S,3R)-2-amino-3-(cyclohexylmethoxy)-2-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 170758020
(3R)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 170758663
(2S,3R)-2-amino-3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 170758970

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (CID 170757882) is 3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is CC(CC(=O)N1CCC(c2nccs2)CC1)OCC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is POJNFIFLNIYTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14(23-13-15-4-9-22-10-5-15)12-17(21)20-7-2-16(3-8-20)18-19-6-11-24-18/h6,11,14-16H,2-5,7-10,12-13H2,1H3.
What are the key properties of 3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 352.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 170757882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).