2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide

C20H28N4O2 — CID 91532617

IUPAC2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
SMILESCC1CCN(CC(=O)NCCOc2cccc(-c3cnn(C)c3)c2)CC1
InChIInChI=1S/C20H28N4O2/c1-16-6-9-24(10-7-16)15-20(25)21-8-11-26-19-5-3-4-17(12-19)18-13-22-23(2)14-18/h3-5,12-14,16H,6-11,15H2,1-2H3,(H,21,25)
InChIKeyNFCOEVKLQUSXSW-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.31
Rot. Bonds7

About 2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide

2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide (PubChem CID 91532617) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
PubChem CID91532617
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide
SMILESCC1CCN(CC(=O)NCCOc2cccc(-c3cnn(C)c3)c2)CC1
InChIInChI=1S/C20H28N4O2/c1-16-6-9-24(10-7-16)15-20(25)21-8-11-26-19-5-3-4-17(12-19)18-13-22-23(2)14-18/h3-5,12-14,16H,6-11,15H2,1-2H3,(H,21,25)
InChIKeyNFCOEVKLQUSXSW-UHFFFAOYSA-N
XLogP2.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide (CID 91532617) is 2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide is CC1CCN(CC(=O)NCCOc2cccc(-c3cnn(C)c3)c2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
The InChIKey is NFCOEVKLQUSXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-16-6-9-24(10-7-16)15-20(25)21-8-11-26-19-5-3-4-17(12-19)18-13-22-23(2)14-18/h3-5,12-14,16H,6-11,15H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide?
2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 91532617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).