1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C14H20N2OS — CID 97101620

IUPAC1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESC=CCCc1csc([C@@H]2CCCN(C(C)=O)C2)n1
InChIInChI=1S/C14H20N2OS/c1-3-4-7-13-10-18-14(15-13)12-6-5-8-16(9-12)11(2)17/h3,10,12H,1,4-9H2,2H3/t12-/m1/s1
InChIKeyGNHMTHLLJHZVIU-GFCCVEGCSA-N
MW264.39 g/mol
LogP2.99
Rot. Bonds4

About 1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 97101620) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID97101620
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESC=CCCc1csc([C@@H]2CCCN(C(C)=O)C2)n1
InChIInChI=1S/C14H20N2OS/c1-3-4-7-13-10-18-14(15-13)12-6-5-8-16(9-12)11(2)17/h3,10,12H,1,4-9H2,2H3/t12-/m1/s1
InChIKeyGNHMTHLLJHZVIU-GFCCVEGCSA-N
XLogP2.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one
CID 160913974
N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097272
1-[3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 122146920
3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one
CID 161304044
N-[2-[2-[1-(2,2-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841826
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane
CID 159572048
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
2-ethyl-1-[3-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-one;methane
CID 159478001

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 97101620) is 1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is C=CCCc1csc([C@@H]2CCCN(C(C)=O)C2)n1.
What is the InChIKey of 1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is GNHMTHLLJHZVIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-4-7-13-10-18-14(15-13)12-6-5-8-16(9-12)11(2)17/h3,10,12H,1,4-9H2,2H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 264.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97101620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).