(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone

C16H21N3O2 — CID 110678673

IUPAC(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(-c2ccco2)n(C)n1
InChIInChI=1S/C16H21N3O2/c1-11-6-4-7-12(2)19(11)16(20)13-10-14(18(3)17-13)15-8-5-9-21-15/h5,8-12H,4,6-7H2,1-3H3
InChIKeyNSRIVUIRQAERBF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.08
Rot. Bonds2

About (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone

(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone (PubChem CID 110678673) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone
PubChem CID110678673
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone
SMILESCC1CCCC(C)N1C(=O)c1cc(-c2ccco2)n(C)n1
InChIInChI=1S/C16H21N3O2/c1-11-6-4-7-12(2)19(11)16(20)13-10-14(18(3)17-13)15-8-5-9-21-15/h5,8-12H,4,6-7H2,1-3H3
InChIKeyNSRIVUIRQAERBF-UHFFFAOYSA-N
XLogP3.08
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone (CID 110678673) is (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone is CC1CCCC(C)N1C(=O)c1cc(-c2ccco2)n(C)n1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone?
The InChIKey is NSRIVUIRQAERBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-4-7-12(2)19(11)16(20)13-10-14(18(3)17-13)15-8-5-9-21-15/h5,8-12H,4,6-7H2,1-3H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone?
(2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone has a molecular weight of 287.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1-methylpyrazol-3-yl]methanone is sourced from PubChem (CID 110678673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).