3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one

C14H22N2OS — CID 79824229

IUPAC3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one
SMILESCCC(C)(C(=O)Cc1nccs1)N1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-3-14(2,16-8-5-4-6-9-16)12(17)11-13-15-7-10-18-13/h7,10H,3-6,8-9,11H2,1-2H3
InChIKeyNVROWAVRDUDEHJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.91
Rot. Bonds5

About 3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one

3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one (PubChem CID 79824229) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one
PubChem CID79824229
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one
SMILESCCC(C)(C(=O)Cc1nccs1)N1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-3-14(2,16-8-5-4-6-9-16)12(17)11-13-15-7-10-18-13/h7,10H,3-6,8-9,11H2,1-2H3
InChIKeyNVROWAVRDUDEHJ-UHFFFAOYSA-N
XLogP2.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-one
CID 103447076
3-methyl-4-piperidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-one
CID 123919714
2,5-dimethyl-5-piperidin-1-ylheptan-4-one
CID 79064976
2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one
CID 79065877
[3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105241191
1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79060041
3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79823502
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79069007
1-(4-ethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069392
3-(1,3-thiazol-2-ylmethyl)pentan-3-ol
CID 79819045

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one?
The IUPAC name of 3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one (CID 79824229) is 3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one.
What is the SMILES notation for 3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one?
The canonical SMILES for 3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one is CCC(C)(C(=O)Cc1nccs1)N1CCCCC1.
What is the InChIKey of 3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one?
The InChIKey is NVROWAVRDUDEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-14(2,16-8-5-4-6-9-16)12(17)11-13-15-7-10-18-13/h7,10H,3-6,8-9,11H2,1-2H3.
What are the key properties of 3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one?
3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one has a molecular weight of 266.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-piperidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-one is sourced from PubChem (CID 79824229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).