[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone

C17H22N6O2 — CID 134160986

IUPAC[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(COc3cc(C4CC4)ncn3)CC2)nn1
InChIInChI=1S/C17H22N6O2/c1-22-9-15(20-21-22)17(24)23-6-4-12(5-7-23)10-25-16-8-14(13-2-3-13)18-11-19-16/h8-9,11-13H,2-7,10H2,1H3
InChIKeyLTICJXGQHFKBOJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.41
Rot. Bonds5

About [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone

[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone (PubChem CID 134160986) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
PubChem CID134160986
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(COc3cc(C4CC4)ncn3)CC2)nn1
InChIInChI=1S/C17H22N6O2/c1-22-9-15(20-21-22)17(24)23-6-4-12(5-7-23)10-25-16-8-14(13-2-3-13)18-11-19-16/h8-9,11-13H,2-7,10H2,1H3
InChIKeyLTICJXGQHFKBOJ-UHFFFAOYSA-N
XLogP1.41
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone with MolForge

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Related Compounds

[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 154576135
[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 164663089
[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 134161159
[3-(bromomethyl)pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 130521226
1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
CID 110461894
[4-(dimethylamino)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 110471518
2-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 134160609
(3-chloropyrrolidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 130521214
(1-methyltriazol-4-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342905
[4-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 154576392
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
CID 66289197
(1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975295

Frequently Asked Questions

What is the IUPAC name of [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The IUPAC name of [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone (CID 134160986) is [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone is Cn1cc(C(=O)N2CCC(COc3cc(C4CC4)ncn3)CC2)nn1.
What is the InChIKey of [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The InChIKey is LTICJXGQHFKBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22-9-15(20-21-22)17(24)23-6-4-12(5-7-23)10-25-16-8-14(13-2-3-13)18-11-19-16/h8-9,11-13H,2-7,10H2,1H3.
What are the key properties of [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone?
[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 134160986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).