3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one

C12H17N3O2S — CID 114508168

IUPAC3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one
SMILESCCc1nnsc1C(=O)N1CCC(=O)C(CC)C1
InChIInChI=1S/C12H17N3O2S/c1-3-8-7-15(6-5-10(8)16)12(17)11-9(4-2)13-14-18-11/h8H,3-7H2,1-2H3
InChIKeyPCKJNVLOTKOPCX-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.54
Rot. Bonds3

About 3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one

3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one (PubChem CID 114508168) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one
PubChem CID114508168
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one
SMILESCCc1nnsc1C(=O)N1CCC(=O)C(CC)C1
InChIInChI=1S/C12H17N3O2S/c1-3-8-7-15(6-5-10(8)16)12(17)11-9(4-2)13-14-18-11/h8H,3-7H2,1-2H3
InChIKeyPCKJNVLOTKOPCX-UHFFFAOYSA-N
XLogP1.54
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 65205038
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508445
[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 96996371
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199
1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 65205242
[4-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
(4aS,8aR)-6-(4-ethylthiadiazole-5-carbonyl)-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56907132
(4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500686
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 65206136
3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one
CID 114499698
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one (CID 114508168) is 3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one is CCc1nnsc1C(=O)N1CCC(=O)C(CC)C1.
What is the InChIKey of 3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one?
The InChIKey is PCKJNVLOTKOPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-8-7-15(6-5-10(8)16)12(17)11-9(4-2)13-14-18-11/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one?
3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one has a molecular weight of 267.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one is sourced from PubChem (CID 114508168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).