3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one

C14H18ClN5O4S — CID 135489334

IUPAC3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CCS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)[nH]1
InChIInChI=1S/C14H18ClN5O4S/c15-10-1-2-13(16-9-10)24-11-3-6-20(7-4-11)25(22,23)8-5-12-17-14(21)19-18-12/h1-2,9,11H,3-8H2,(H2,17,18,19,21)
InChIKeyRILUDXSAEWJZBY-UHFFFAOYSA-N
MW387.85 g/mol
LogP0.56
Rot. Bonds6

About 3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135489334) has the molecular formula C14H18ClN5O4S and a molecular weight of 387.85 g/mol. Its IUPAC name is 3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135489334
Molecular FormulaC14H18ClN5O4S
Molecular Weight387.85 g/mol
Exact Mass387.08
IUPAC Name3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CCS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)[nH]1
InChIInChI=1S/C14H18ClN5O4S/c15-10-1-2-13(16-9-10)24-11-3-6-20(7-4-11)25(22,23)8-5-12-17-14(21)19-18-12/h1-2,9,11H,3-8H2,(H2,17,18,19,21)
InChIKeyRILUDXSAEWJZBY-UHFFFAOYSA-N
XLogP0.56
TPSA121.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpropan-2-one
CID 23133619
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one
CID 91593916
5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 23133566
5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798967
(5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione
CID 68683199
5-chloro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798965
5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione
CID 142664152
5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine
CID 122248574
tert-butyl 4-[4-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxylate
CID 66850714
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide
CID 70111198
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-N-hydroxypiperidine-2-carboxamide
CID 22615791
5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133451

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 135489334) is 3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(CCS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)[nH]1.
What is the InChIKey of 3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is RILUDXSAEWJZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O4S/c15-10-1-2-13(16-9-10)24-11-3-6-20(7-4-11)25(22,23)8-5-12-17-14(21)19-18-12/h1-2,9,11H,3-8H2,(H2,17,18,19,21).
What are the key properties of 3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 387.85 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135489334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).