[4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone

C17H22N4O3 — CID 121164916

IUPAC[4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESCOCCOc1ccc(C(=O)N2CCC(n3nccn3)CC2)cc1
InChIInChI=1S/C17H22N4O3/c1-23-12-13-24-16-4-2-14(3-5-16)17(22)20-10-6-15(7-11-20)21-18-8-9-19-21/h2-5,8-9,15H,6-7,10-13H2,1H3
InChIKeyVJXJZBLQXRHNMK-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.78
Rot. Bonds6

About [4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone

[4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121164916) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
PubChem CID121164916
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESCOCCOc1ccc(C(=O)N2CCC(n3nccn3)CC2)cc1
InChIInChI=1S/C17H22N4O3/c1-23-12-13-24-16-4-2-14(3-5-16)17(22)20-10-6-15(7-11-20)21-18-8-9-19-21/h2-5,8-9,15H,6-7,10-13H2,1H3
InChIKeyVJXJZBLQXRHNMK-UHFFFAOYSA-N
XLogP1.78
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(2-methoxyethoxy)phenyl]-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124891782
(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178518
1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793764
[4-(2-methoxyethoxy)phenyl]-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617275
phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164861
[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121164835
2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121165003
(3-fluoro-4-methylphenyl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165031
2-[1-[4-(2-methoxyethoxy)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592646
[4-(3-methoxypropoxy)phenyl]-piperazin-1-ylmethanone
CID 119401946
(4-tert-butylphenyl)-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124760499

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone (CID 121164916) is [4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone is COCCOc1ccc(C(=O)N2CCC(n3nccn3)CC2)cc1.
What is the InChIKey of [4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is VJXJZBLQXRHNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-12-13-24-16-4-2-14(3-5-16)17(22)20-10-6-15(7-11-20)21-18-8-9-19-21/h2-5,8-9,15H,6-7,10-13H2,1H3.
What are the key properties of [4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone?
[4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121164916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).