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

C16H23N3O2S — CID 163119144

IUPAC2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)Nc1nccs1
InChIInChI=1S/C16H23N3O2S/c1-2-11-10-19(15(21)12-3-4-12)7-5-13(11)9-14(20)18-16-17-6-8-22-16/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,17,18,20)/t11-,13+/m1/s1
InChIKeyAWZUGSWVXZSCEM-YPMHNXCESA-N
MW321.45 g/mol
LogP2.76
Rot. Bonds5

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

2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 163119144) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID163119144
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)Nc1nccs1
InChIInChI=1S/C16H23N3O2S/c1-2-11-10-19(15(21)12-3-4-12)7-5-13(11)9-14(20)18-16-17-6-8-22-16/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,17,18,20)/t11-,13+/m1/s1
InChIKeyAWZUGSWVXZSCEM-YPMHNXCESA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 11911985
2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 163177193
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110703373
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 114278560
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone
CID 97097278
(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124832131
2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 146131791

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 163119144) is 2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)Nc1nccs1.
What is the InChIKey of 2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is AWZUGSWVXZSCEM-YPMHNXCESA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-2-11-10-19(15(21)12-3-4-12)7-5-13(11)9-14(20)18-16-17-6-8-22-16/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,17,18,20)/t11-,13+/m1/s1.
What are the key properties of 2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 163119144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).