(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone

C17H21N3O2 — CID 35325384

IUPAC(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
SMILESCC1CCN(C(=O)c2ccn(COc3ccccc3)n2)CC1
InChIInChI=1S/C17H21N3O2/c1-14-7-10-19(11-8-14)17(21)16-9-12-20(18-16)13-22-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3
InChIKeyGEBBGVRKRXZBHR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.79
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone

(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone (PubChem CID 35325384) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
PubChem CID35325384
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
SMILESCC1CCN(C(=O)c2ccn(COc3ccccc3)n2)CC1
InChIInChI=1S/C17H21N3O2/c1-14-7-10-19(11-8-14)17(21)16-9-12-20(18-16)13-22-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3
InChIKeyGEBBGVRKRXZBHR-UHFFFAOYSA-N
XLogP2.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone (CID 35325384) is (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone is CC1CCN(C(=O)c2ccn(COc3ccccc3)n2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
The InChIKey is GEBBGVRKRXZBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-14-7-10-19(11-8-14)17(21)16-9-12-20(18-16)13-22-15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 35325384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).