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

C19H24N2OS — CID 110308176

IUPAC3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)(CC(=O)N1CCC(c2nccs2)CC1)c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-19(2,16-6-4-3-5-7-16)14-17(22)21-11-8-15(9-12-21)18-20-10-13-23-18/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3
InChIKeyFRLDNYZSCKXZBC-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.22
Rot. Bonds4

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

3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 110308176) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID110308176
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESCC(C)(CC(=O)N1CCC(c2nccs2)CC1)c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-19(2,16-6-4-3-5-7-16)14-17(22)21-11-8-15(9-12-21)18-20-10-13-23-18/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3
InChIKeyFRLDNYZSCKXZBC-UHFFFAOYSA-N
XLogP4.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
2-(2-methoxyphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289796
(E)-2-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 110308213
2-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 110289781
3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110025197
3-(4-phenyl-1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110628802
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 136531042
3-oxo-3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 136521667
3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308197
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
2-(3,4-dimethylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110308169

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (CID 110308176) is 3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is CC(C)(CC(=O)N1CCC(c2nccs2)CC1)c1ccccc1.
What is the InChIKey of 3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is FRLDNYZSCKXZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-19(2,16-6-4-3-5-7-16)14-17(22)21-11-8-15(9-12-21)18-20-10-13-23-18/h3-7,10,13,15H,8-9,11-12,14H2,1-2H3.
What are the key properties of 3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 328.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110308176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).