1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone

C16H19N3O2S — CID 51867849

IUPAC1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(-c2nnc([C@@H]3CCCN(C(C)=O)C3)s2)cc1
InChIInChI=1S/C16H19N3O2S/c1-11(20)19-9-3-4-13(10-19)16-18-17-15(22-16)12-5-7-14(21-2)8-6-12/h5-8,13H,3-4,9-10H2,1-2H3/t13-/m1/s1
InChIKeyPSNPFUNRHKSZAH-CYBMUJFWSA-N
MW317.41 g/mol
LogP2.94
Rot. Bonds3

About 1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone

1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 51867849) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID51867849
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(-c2nnc([C@@H]3CCCN(C(C)=O)C3)s2)cc1
InChIInChI=1S/C16H19N3O2S/c1-11(20)19-9-3-4-13(10-19)16-18-17-15(22-16)12-5-7-14(21-2)8-6-12/h5-8,13H,3-4,9-10H2,1-2H3/t13-/m1/s1
InChIKeyPSNPFUNRHKSZAH-CYBMUJFWSA-N
XLogP2.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-ethyl-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 51867910
2-[(3R)-1-butylsulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 51867889
1-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963903
1-[(3R)-3-[5-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95846969
5-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088506
5-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088505
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 40987840
5-[1-(ethylcarbamoyl)piperidin-3-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375849
N-(4-fluorophenyl)-5-[(3R)-1-[(4-methoxyphenyl)carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879254
tert-butyl 3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate
CID 166104127
methyl 2-(1-acetylpiperidin-3-yl)-4-ethyl-1,3-thiazole-5-carboxylate
CID 122150191
1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95821000

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone (CID 51867849) is 1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone is COc1ccc(-c2nnc([C@@H]3CCCN(C(C)=O)C3)s2)cc1.
What is the InChIKey of 1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is PSNPFUNRHKSZAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11(20)19-9-3-4-13(10-19)16-18-17-15(22-16)12-5-7-14(21-2)8-6-12/h5-8,13H,3-4,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone?
1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 317.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 51867849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).