[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone

C18H24N4O2 — CID 45176076

IUPAC[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cn(CCc3ccccc3)nn2)C1
InChIInChI=1S/C18H24N4O2/c1-24-14-16-8-5-10-21(12-16)18(23)17-13-22(20-19-17)11-9-15-6-3-2-4-7-15/h2-4,6-7,13,16H,5,8-12,14H2,1H3
InChIKeySEYBFCWAUFZKNQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.02
Rot. Bonds6

About [3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone

[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone (PubChem CID 45176076) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
PubChem CID45176076
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cn(CCc3ccccc3)nn2)C1
InChIInChI=1S/C18H24N4O2/c1-24-14-16-8-5-10-21(12-16)18(23)17-13-22(20-19-17)11-9-15-6-3-2-4-7-15/h2-4,6-7,13,16H,5,8-12,14H2,1H3
InChIKeySEYBFCWAUFZKNQ-UHFFFAOYSA-N
XLogP2.02
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone
CID 26337295
[1-(3-phenylpropyl)triazol-4-yl]-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45237482
[1-(2-cyclohexylethyl)triazol-4-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45176698
(3-cyclohexylpyrrolidin-1-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45218231
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791
[(3R)-1-[1-(2-phenylethyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42095787
(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
CID 42415249
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25374522
1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride
CID 154895422
[1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95402752
[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42112383
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone (CID 45176076) is [3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone is COCC1CCCN(C(=O)c2cn(CCc3ccccc3)nn2)C1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone?
The InChIKey is SEYBFCWAUFZKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-14-16-8-5-10-21(12-16)18(23)17-13-22(20-19-17)11-9-15-6-3-2-4-7-15/h2-4,6-7,13,16H,5,8-12,14H2,1H3.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone?
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone is sourced from PubChem (CID 45176076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).