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

C22H25N3O3 — CID 53167355

IUPAC2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one
SMILESCCCn1ccc2oc(C)c(C(=O)N3CCN(c4ccccc4)CC3)c2c1=O
InChIInChI=1S/C22H25N3O3/c1-3-10-24-11-9-18-20(22(24)27)19(16(2)28-18)21(26)25-14-12-23(13-15-25)17-7-5-4-6-8-17/h4-9,11H,3,10,12-15H2,1-2H3
InChIKeyWUXKHMJJZWNHEJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.28
Rot. Bonds4

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

2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one (PubChem CID 53167355) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one
PubChem CID53167355
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one
SMILESCCCn1ccc2oc(C)c(C(=O)N3CCN(c4ccccc4)CC3)c2c1=O
InChIInChI=1S/C22H25N3O3/c1-3-10-24-11-9-18-20(22(24)27)19(16(2)28-18)21(26)25-14-12-23(13-15-25)17-7-5-4-6-8-17/h4-9,11H,3,10,12-15H2,1-2H3
InChIKeyWUXKHMJJZWNHEJ-UHFFFAOYSA-N
XLogP3.28
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.28
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-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one (CID 53167355) is 2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one is CCCn1ccc2oc(C)c(C(=O)N3CCN(c4ccccc4)CC3)c2c1=O.
What is the InChIKey of 2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one?
The InChIKey is WUXKHMJJZWNHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-10-24-11-9-18-20(22(24)27)19(16(2)28-18)21(26)25-14-12-23(13-15-25)17-7-5-4-6-8-17/h4-9,11H,3,10,12-15H2,1-2H3.
What are the key properties of 2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one?
2-methyl-3-(4-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one has a molecular weight of 379.46 g/mol, XLogP of 3.28, 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-phenylpiperazine-1-carbonyl)-5-propylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 53167355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).