[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone

C19H20N6O3 — CID 154576711

IUPAC[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCOc1cnc(OC2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)nc1
InChIInChI=1S/C19H20N6O3/c1-27-16-11-20-19(21-12-16)28-15-7-9-24(10-8-15)18(26)17-13-22-25(23-17)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3
InChIKeyKCWDRWGCWWTURW-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.75
Rot. Bonds5

About [4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone

[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 154576711) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is [4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID154576711
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCOc1cnc(OC2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)nc1
InChIInChI=1S/C19H20N6O3/c1-27-16-11-20-19(21-12-16)28-15-7-9-24(10-8-15)18(26)17-13-22-25(23-17)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3
InChIKeyKCWDRWGCWWTURW-UHFFFAOYSA-N
XLogP1.75
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 56817705
(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 51324265
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122258230
[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 154583750
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 154583725
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
(2-chloro-6-fluorophenyl)-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154576628
(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887074
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
methyl 2-[(3R)-1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 99982434

Frequently Asked Questions

What is the IUPAC name of [4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 154576711) is [4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone is COc1cnc(OC2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)nc1.
What is the InChIKey of [4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is KCWDRWGCWWTURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-27-16-11-20-19(21-12-16)28-15-7-9-24(10-8-15)18(26)17-13-22-25(23-17)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3.
What are the key properties of [4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 380.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 154576711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).