2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

C14H21N3O2S — CID 11912297

IUPAC2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)Nc1nccs1
InChIInChI=1S/C14H21N3O2S/c1-3-11-9-17(10(2)18)6-4-12(11)8-13(19)16-14-15-5-7-20-14/h5,7,11-12H,3-4,6,8-9H2,1-2H3,(H,15,16,19)/t11-,12-/m0/s1
InChIKeyTZUGETSNHNSVHH-RYUDHWBXSA-N
MW295.41 g/mol
LogP2.37
Rot. Bonds4

About 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 11912297) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID11912297
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)Nc1nccs1
InChIInChI=1S/C14H21N3O2S/c1-3-11-9-17(10(2)18)6-4-12(11)8-13(19)16-14-15-5-7-20-14/h5,7,11-12H,3-4,6,8-9H2,1-2H3,(H,15,16,19)/t11-,12-/m0/s1
InChIKeyTZUGETSNHNSVHH-RYUDHWBXSA-N
XLogP2.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Propanamide, 3-(4-methyl-1-piperidyl)-N-(2-thiazolyl)-
CID 574554
2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 2666601
2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2976467
1-[2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-4-carboxamide
CID 6462725
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 8141687
3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 711478
1-Thiazol-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 656358
4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 1246597
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 16318969
N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 18072276
(4aS,8R,8aS)-2-butyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 24747595
N-cyclopentyl-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 1448188

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 11912297) is 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is CC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)Nc1nccs1.
What is the InChIKey of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is TZUGETSNHNSVHH-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-11-9-17(10(2)18)6-4-12(11)8-13(19)16-14-15-5-7-20-14/h5,7,11-12H,3-4,6,8-9H2,1-2H3,(H,15,16,19)/t11-,12-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 295.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 11912297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).