(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C15H17N3O2 — CID 801097

IUPAC(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1occc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H17N3O2/c1-12-13(5-11-20-12)15(19)18-9-7-17(8-10-18)14-4-2-3-6-16-14/h2-6,11H,7-10H2,1H3
InChIKeyGFOWNWOXBWZKDD-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.95
Rot. Bonds2

About (2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 801097) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID801097
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1occc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H17N3O2/c1-12-13(5-11-20-12)15(19)18-9-7-17(8-10-18)14-4-2-3-6-16-14/h2-6,11H,7-10H2,1H3
InChIKeyGFOWNWOXBWZKDD-UHFFFAOYSA-N
XLogP1.95
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 56817325
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 97450408
(1-tert-butyl-5-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56814034
(2-methylfuran-3-yl)-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97449506
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 2932834
[4-(2-methylfuran-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86991537
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
(2-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16546256

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 801097) is (2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1occc1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GFOWNWOXBWZKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12-13(5-11-20-12)15(19)18-9-7-17(8-10-18)14-4-2-3-6-16-14/h2-6,11H,7-10H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 801097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).