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

C12H18N2OS — CID 61487353

IUPAC1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one
SMILESCC(C)c1nc(CN2CCC(=O)CC2)cs1
InChIInChI=1S/C12H18N2OS/c1-9(2)12-13-10(8-16-12)7-14-5-3-11(15)4-6-14/h8-9H,3-7H2,1-2H3
InChIKeyXQKIKPUOLVAUDN-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.43
Rot. Bonds3

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

1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one (PubChem CID 61487353) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one
PubChem CID61487353
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one
SMILESCC(C)c1nc(CN2CCC(=O)CC2)cs1
InChIInChI=1S/C12H18N2OS/c1-9(2)12-13-10(8-16-12)7-14-5-3-11(15)4-6-14/h8-9H,3-7H2,1-2H3
InChIKeyXQKIKPUOLVAUDN-UHFFFAOYSA-N
XLogP2.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 119923292
3-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 61487318
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 55168538
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63905100
methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate
CID 75431209
(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94381346
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
4-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 112840395
3-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63904958
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 55169627
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one (CID 61487353) is 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one is CC(C)c1nc(CN2CCC(=O)CC2)cs1.
What is the InChIKey of 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one?
The InChIKey is XQKIKPUOLVAUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(2)12-13-10(8-16-12)7-14-5-3-11(15)4-6-14/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one?
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one has a molecular weight of 238.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one is sourced from PubChem (CID 61487353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).