3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one

C15H25N3O2 — CID 70746805

IUPAC3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCCCC1CCn1cccn1
InChIInChI=1S/C15H25N3O2/c1-2-20-13-8-15(19)18-11-4-3-6-14(18)7-12-17-10-5-9-16-17/h5,9-10,14H,2-4,6-8,11-13H2,1H3
InChIKeyHTTDFYQWQBTXGB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.08
Rot. Bonds7

About 3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one

3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one (PubChem CID 70746805) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
PubChem CID70746805
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
SMILESCCOCCC(=O)N1CCCCC1CCn1cccn1
InChIInChI=1S/C15H25N3O2/c1-2-20-13-8-15(19)18-11-4-3-6-14(18)7-12-17-10-5-9-16-17/h5,9-10,14H,2-4,6-8,11-13H2,1H3
InChIKeyHTTDFYQWQBTXGB-UHFFFAOYSA-N
XLogP2.08
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one 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

US10030012, Example 81
CID 78318447
US10030012, Example 82
CID 78318448
US10030012, Example 4
CID 78318736
isopropyl 2-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinecarboxylate
CID 56888488
1-[3-(methylthio)propanoyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 70739422
1-(4-Methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71943645
ethyl 4-[2-(1H-pyrazol-1-yl)butanoyl]-1-piperazinecarboxylate
CID 72939762
1-acetyl-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]piperidin-4-amine
CID 50969341
1-Morpholin-4-yl-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 53623421
(3S)-3-ethyl-4-[4-(1H-pyrazol-1-yl)butanoyl]morpholine
CID 70756061
1-ethyl-N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]piperidine-2-carboxamide
CID 74237596
3-(2-methylpropoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
CID 95159189

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one (CID 70746805) is 3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one is CCOCCC(=O)N1CCCCC1CCn1cccn1.
What is the InChIKey of 3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one?
The InChIKey is HTTDFYQWQBTXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-20-13-8-15(19)18-11-4-3-6-14(18)7-12-17-10-5-9-16-17/h5,9-10,14H,2-4,6-8,11-13H2,1H3.
What are the key properties of 3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one?
3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one has a molecular weight of 279.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70746805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).