(3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

C13H15N5O2 — CID 122255912

IUPAC(3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C13H15N5O2/c19-13(12-15-9-16-17-12)18-7-1-2-11(8-18)20-10-3-5-14-6-4-10/h3-6,9,11H,1-2,7-8H2,(H,15,16,17)
InChIKeyINZBZOUSLNFQNV-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.88
Rot. Bonds3

About (3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

(3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 122255912) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is (3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID122255912
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name(3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C13H15N5O2/c19-13(12-15-9-16-17-12)18-7-1-2-11(8-18)20-10-3-5-14-6-4-10/h3-6,9,11H,1-2,7-8H2,(H,15,16,17)
InChIKeyINZBZOUSLNFQNV-UHFFFAOYSA-N
XLogP0.88
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-pyrimidin-2-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 122257461
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326
(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255794
(3-pyridazin-3-yloxypyrrolidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 90638405
(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255743
(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255852
N-[4-(3-pyridin-4-yloxypiperidine-1-carbonyl)phenyl]acetamide
CID 119100706
[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 72869064
5-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122255655
(4-morpholin-4-ylphenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255930
2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one
CID 121017957
(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255746

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 122255912) is (3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of (3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is INZBZOUSLNFQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-13(12-15-9-16-17-12)18-7-1-2-11(8-18)20-10-3-5-14-6-4-10/h3-6,9,11H,1-2,7-8H2,(H,15,16,17).
What are the key properties of (3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 273.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 122255912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).