[(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone

C18H19N5O3S — CID 144697968

IUPAC[(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone
SMILESCOc1ccnc(O[C@@H]2CCCN(C(=O)c3ccsc3-n3nccn3)C2)c1
InChIInChI=1S/C18H19N5O3S/c1-25-13-4-6-19-16(11-13)26-14-3-2-9-22(12-14)17(24)15-5-10-27-18(15)23-20-7-8-21-23/h4-8,10-11,14H,2-3,9,12H2,1H3/t14-/m1/s1
InChIKeyGFZSDUQXUFFBCF-CQSZACIVSA-N
MW385.45 g/mol
LogP2.42
Rot. Bonds5

About [(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone

[(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone (PubChem CID 144697968) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is [(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone
PubChem CID144697968
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name[(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone
SMILESCOc1ccnc(O[C@@H]2CCCN(C(=O)c3ccsc3-n3nccn3)C2)c1
InChIInChI=1S/C18H19N5O3S/c1-25-13-4-6-19-16(11-13)26-14-3-2-9-22(12-14)17(24)15-5-10-27-18(15)23-20-7-8-21-23/h4-8,10-11,14H,2-3,9,12H2,1H3/t14-/m1/s1
InChIKeyGFZSDUQXUFFBCF-CQSZACIVSA-N
XLogP2.42
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone with MolForge

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Related Compounds

[(3R)-3-[[4-(fluoromethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144697983
[(3R)-3-[(4-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylthiophen-3-yl)methanone
CID 144697950
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261376
[(2R,5R)-5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[4-(triazol-2-yl)-3-pyridinyl]methanone
CID 78324920
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 122261194
[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 134503138
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 122261212
tert-butyl (3R)-3-[[4-(difluoromethoxy)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 144697957
(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636093
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 122261529
5-[(4-methoxy-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylic acid
CID 90389751

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone?
The IUPAC name of [(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone (CID 144697968) is [(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone.
What is the SMILES notation for [(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone?
The canonical SMILES for [(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone is COc1ccnc(O[C@@H]2CCCN(C(=O)c3ccsc3-n3nccn3)C2)c1.
What is the InChIKey of [(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone?
The InChIKey is GFZSDUQXUFFBCF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-25-13-4-6-19-16(11-13)26-14-3-2-9-22(12-14)17(24)15-5-10-27-18(15)23-20-7-8-21-23/h4-8,10-11,14H,2-3,9,12H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone?
[(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone has a molecular weight of 385.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(4-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 144697968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).