(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C17H19N3O3 — CID 110854793

IUPAC(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1nccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C17H19N3O3/c1-12-13(2)18-6-5-14(12)16(21)19-7-9-20(10-8-19)17(22)15-4-3-11-23-15/h3-6,11H,7-10H2,1-2H3
InChIKeyUIBXCMALDPXFPW-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.89
Rot. Bonds2

About (2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 110854793) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID110854793
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1nccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C
InChIInChI=1S/C17H19N3O3/c1-12-13(2)18-6-5-14(12)16(21)19-7-9-20(10-8-19)17(22)15-4-3-11-23-15/h3-6,11H,7-10H2,1-2H3
InChIKeyUIBXCMALDPXFPW-UHFFFAOYSA-N
XLogP1.89
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 71689981
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 53270741
2-[4-(furan-2-carbonyl)piperazin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135448588
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 34469189
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 110854793) is (2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is Cc1nccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C.
What is the InChIKey of (2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is UIBXCMALDPXFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-13(2)18-6-5-14(12)16(21)19-7-9-20(10-8-19)17(22)15-4-3-11-23-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 313.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110854793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).