[4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C14H23N3O3 — CID 91918336

IUPAC[4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCOCCOC1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C14H23N3O3/c1-3-19-10-11-20-12-5-8-17(9-6-12)14(18)13-4-7-15-16(13)2/h4,7,12H,3,5-6,8-11H2,1-2H3
InChIKeySALHUVWGNVIEJS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.08
Rot. Bonds6

About [4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91918336) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91918336
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name[4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCOCCOC1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C14H23N3O3/c1-3-19-10-11-20-12-5-8-17(9-6-12)14(18)13-4-7-15-16(13)2/h4,7,12H,3,5-6,8-11H2,1-2H3
InChIKeySALHUVWGNVIEJS-UHFFFAOYSA-N
XLogP1.08
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91918336) is [4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is CCOCCOC1CCN(C(=O)c2ccnn2C)CC1.
What is the InChIKey of [4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is SALHUVWGNVIEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-19-10-11-20-12-5-8-17(9-6-12)14(18)13-4-7-15-16(13)2/h4,7,12H,3,5-6,8-11H2,1-2H3.
What are the key properties of [4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91918336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).