(4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

C20H21N5O2 — CID 46957220

IUPAC(4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1Cn1cncn1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C20H21N5O2/c26-20(19-6-2-1-4-16(19)13-25-15-22-14-23-25)24-10-7-17(8-11-24)27-18-5-3-9-21-12-18/h1-6,9,12,14-15,17H,7-8,10-11,13H2
InChIKeyGKVIWHZXDHXSLP-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.40
Rot. Bonds5

About (4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

(4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (PubChem CID 46957220) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
PubChem CID46957220
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1Cn1cncn1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C20H21N5O2/c26-20(19-6-2-1-4-16(19)13-25-15-22-14-23-25)24-10-7-17(8-11-24)27-18-5-3-9-21-12-18/h1-6,9,12,14-15,17H,7-8,10-11,13H2
InChIKeyGKVIWHZXDHXSLP-UHFFFAOYSA-N
XLogP2.40
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone;hydrochloride
CID 119520428
[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 46968592
(2-iodophenyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 56643272
N-(1-pyridin-3-ylpyrrolidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 154801442
1,3,4,5-tetrahydro-2-benzazepin-2-yl-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 166191718
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 90566033
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 71926365
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643230
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (CID 46957220) is (4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is O=C(c1ccccc1Cn1cncn1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of (4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The InChIKey is GKVIWHZXDHXSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(19-6-2-1-4-16(19)13-25-15-22-14-23-25)24-10-7-17(8-11-24)27-18-5-3-9-21-12-18/h1-6,9,12,14-15,17H,7-8,10-11,13H2.
What are the key properties of (4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
(4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone has a molecular weight of 363.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-yloxypiperidin-1-yl)-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 46957220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).