1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone

C19H30N2O3 — CID 169159368

IUPAC1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C2CCN(CCOCCOC(C)C)CC2)cn1
InChIInChI=1S/C19H30N2O3/c1-15(2)24-13-12-23-11-10-21-8-6-17(7-9-21)18-4-5-19(16(3)22)20-14-18/h4-5,14-15,17H,6-13H2,1-3H3
InChIKeyVFONUHGAZWNYGE-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.91
Rot. Bonds9

About 1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone

1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone (PubChem CID 169159368) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone
PubChem CID169159368
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C2CCN(CCOCCOC(C)C)CC2)cn1
InChIInChI=1S/C19H30N2O3/c1-15(2)24-13-12-23-11-10-21-8-6-17(7-9-21)18-4-5-19(16(3)22)20-14-18/h4-5,14-15,17H,6-13H2,1-3H3
InChIKeyVFONUHGAZWNYGE-UHFFFAOYSA-N
XLogP2.91
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one
CID 167448079
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881
7-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-5H-pyrido[4,3-b]indole
CID 167423136
N-[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]acetamide
CID 176691997
ethane;8-[5-[1-(9-methoxynonyl)piperidin-4-yl]pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 155739656
molecular hydrogen;N-[6-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]hexyl]-2-propan-2-yloxyacetamide
CID 163401199
3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one
CID 170541307
2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol
CID 111439622
N-(2,6-dioxopiperidin-3-yl)-5-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 171786638
4-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]butan-1-ol
CID 155739825
1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 134601157
1-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2923591

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone (CID 169159368) is 1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone is CC(=O)c1ccc(C2CCN(CCOCCOC(C)C)CC2)cn1.
What is the InChIKey of 1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone?
The InChIKey is VFONUHGAZWNYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(2)24-13-12-23-11-10-21-8-6-17(7-9-21)18-4-5-19(16(3)22)20-14-18/h4-5,14-15,17H,6-13H2,1-3H3.
What are the key properties of 1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone?
1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone has a molecular weight of 334.46 g/mol, XLogP of 2.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[2-(2-propan-2-yloxyethoxy)ethyl]piperidin-4-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 169159368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).