(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone

C14H17N5O2 — CID 122255852

IUPAC(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(Oc3ccncc3)C2)nn1
InChIInChI=1S/C14H17N5O2/c1-18-10-13(16-17-18)14(20)19-8-2-3-12(9-19)21-11-4-6-15-7-5-11/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyHGUHFUBXEHUIED-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.89
Rot. Bonds3

About (1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone

(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 122255852) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID122255852
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(Oc3ccncc3)C2)nn1
InChIInChI=1S/C14H17N5O2/c1-18-10-13(16-17-18)14(20)19-8-2-3-12(9-19)21-11-4-6-15-7-5-11/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyHGUHFUBXEHUIED-UHFFFAOYSA-N
XLogP0.89
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one
CID 121017957
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255659
(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 121200479
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255943
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326
N-[4-(3-pyridin-4-yloxypiperidine-1-carbonyl)phenyl]acetamide
CID 119100706
(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255794
(3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 122255912
(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255743
(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255746
1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
CID 122255870
(1-methyltriazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608567

Frequently Asked Questions

What is the IUPAC name of (1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone (CID 122255852) is (1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone is Cn1cc(C(=O)N2CCCC(Oc3ccncc3)C2)nn1.
What is the InChIKey of (1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is HGUHFUBXEHUIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-18-10-13(16-17-18)14(20)19-8-2-3-12(9-19)21-11-4-6-15-7-5-11/h4-7,10,12H,2-3,8-9H2,1H3.
What are the key properties of (1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 287.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122255852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).