2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one

C23H27N3O3 — CID 53167356

IUPAC2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one
SMILESCCCn1ccc2oc(C)c(C(=O)N3CCN(c4cccc(C)c4)CC3)c2c1=O
InChIInChI=1S/C23H27N3O3/c1-4-9-25-10-8-19-21(23(25)28)20(17(3)29-19)22(27)26-13-11-24(12-14-26)18-7-5-6-16(2)15-18/h5-8,10,15H,4,9,11-14H2,1-3H3
InChIKeyVWVSRDXOQBLXBX-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.58
Rot. Bonds4

About 2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one

2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one (PubChem CID 53167356) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one
PubChem CID53167356
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one
SMILESCCCn1ccc2oc(C)c(C(=O)N3CCN(c4cccc(C)c4)CC3)c2c1=O
InChIInChI=1S/C23H27N3O3/c1-4-9-25-10-8-19-21(23(25)28)20(17(3)29-19)22(27)26-13-11-24(12-14-26)18-7-5-6-16(2)15-18/h5-8,10,15H,4,9,11-14H2,1-3H3
InChIKeyVWVSRDXOQBLXBX-UHFFFAOYSA-N
XLogP3.58
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one (CID 53167356) is 2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one is CCCn1ccc2oc(C)c(C(=O)N3CCN(c4cccc(C)c4)CC3)c2c1=O.
What is the InChIKey of 2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one?
The InChIKey is VWVSRDXOQBLXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-9-25-10-8-19-21(23(25)28)20(17(3)29-19)22(27)26-13-11-24(12-14-26)18-7-5-6-16(2)15-18/h5-8,10,15H,4,9,11-14H2,1-3H3.
What are the key properties of 2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one?
2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one has a molecular weight of 393.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-propylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 53167356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).