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

C19H24N2O2S — CID 110308197

IUPAC3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCOc1ccc(C(C)CC(=O)N2CCC(c3nccs3)CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-14(15-3-5-17(23-2)6-4-15)13-18(22)21-10-7-16(8-11-21)19-20-9-12-24-19/h3-6,9,12,14,16H,7-8,10-11,13H2,1-2H3
InChIKeySSVLYOAKNZUHKV-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.05
Rot. Bonds5

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

3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 110308197) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID110308197
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCOc1ccc(C(C)CC(=O)N2CCC(c3nccs3)CC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-14(15-3-5-17(23-2)6-4-15)13-18(22)21-10-7-16(8-11-21)19-20-9-12-24-19/h3-6,9,12,14,16H,7-8,10-11,13H2,1-2H3
InChIKeySSVLYOAKNZUHKV-UHFFFAOYSA-N
XLogP4.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-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

2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110313553
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(3S)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 97033127
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 71922615
2-(2-methoxyphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289796
2-(3,4-dimethylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110308169
(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289762
2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289792
(2S)-2,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]pent-4-en-1-one
CID 124728518
1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110421523
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one
CID 170759258
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (CID 110308197) is 3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is COc1ccc(C(C)CC(=O)N2CCC(c3nccs3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is SSVLYOAKNZUHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14(15-3-5-17(23-2)6-4-15)13-18(22)21-10-7-16(8-11-21)19-20-9-12-24-19/h3-6,9,12,14,16H,7-8,10-11,13H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 344.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110308197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).