[4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone

C12H20N4O3 — CID 112733485

IUPAC[4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCCOCCOC1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C12H20N4O3/c1-2-18-7-8-19-10-3-5-16(6-4-10)12(17)11-9-13-15-14-11/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyVNOJVBCPJUCFFY-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.46
Rot. Bonds6

About [4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone

[4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 112733485) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is [4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID112733485
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name[4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone
SMILESCCOCCOC1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C12H20N4O3/c1-2-18-7-8-19-10-3-5-16(6-4-10)12(17)11-9-13-15-14-11/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyVNOJVBCPJUCFFY-UHFFFAOYSA-N
XLogP0.46
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935
(2-amino-1,3-thiazol-4-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 62788073
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60775999
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 112733334
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 115686992
(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 61109278
(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 78968357
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
(5-bromo-4-methylthiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 79917874

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone (CID 112733485) is [4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone is CCOCCOC1CCN(C(=O)c2cn[nH]n2)CC1.
What is the InChIKey of [4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is VNOJVBCPJUCFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-18-7-8-19-10-3-5-16(6-4-10)12(17)11-9-13-15-14-11/h9-10H,2-8H2,1H3,(H,13,14,15).
What are the key properties of [4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone?
[4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethoxy)piperidin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 112733485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).