3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one

C22H21N3O4 — CID 55753141

IUPAC3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]2)c1
InChIInChI=1S/C22H21N3O4/c1-15-4-2-5-16(14-15)18-8-7-17(20(26)23-18)21(27)24-9-11-25(12-10-24)22(28)19-6-3-13-29-19/h2-8,13-14H,9-12H2,1H3,(H,23,26)
InChIKeyFOLQPEDYFFLOHG-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.54
Rot. Bonds3

About 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one

3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one (PubChem CID 55753141) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
PubChem CID55753141
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]2)c1
InChIInChI=1S/C22H21N3O4/c1-15-4-2-5-16(14-15)18-8-7-17(20(26)23-18)21(27)24-9-11-25(12-10-24)22(28)19-6-3-13-29-19/h2-8,13-14H,9-12H2,1H3,(H,23,26)
InChIKeyFOLQPEDYFFLOHG-UHFFFAOYSA-N
XLogP2.54
TPSA86.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55842753
3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55760671
furan-2-yl-[4-[5-(3-methylphenyl)-1H-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]methanone
CID 119069076
4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56510199
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
2-fluoro-6-[4-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperazin-1-yl]benzonitrile
CID 55849864
4-[4-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839777
6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 55852244
[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42802463
N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55842424
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701048
furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 71689981

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one (CID 55753141) is 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one is Cc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]2)c1.
What is the InChIKey of 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
The InChIKey is FOLQPEDYFFLOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-4-2-5-16(14-15)18-8-7-17(20(26)23-18)21(27)24-9-11-25(12-10-24)22(28)19-6-3-13-29-19/h2-8,13-14H,9-12H2,1H3,(H,23,26).
What are the key properties of 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one has a molecular weight of 391.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 55753141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).