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

C22H31N3O3 — CID 71838333

IUPAC3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one
SMILESCCCn1ccc2oc(C)c(C(=O)N3CCN(C4CCCCC4)CC3)c2c1=O
InChIInChI=1S/C22H31N3O3/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/h9,11,17H,3-8,10,12-15H2,1-2H3
InChIKeyNQPHNJZVDIKPFK-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.40
Rot. Bonds4

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

3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one (PubChem CID 71838333) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one
PubChem CID71838333
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one
SMILESCCCn1ccc2oc(C)c(C(=O)N3CCN(C4CCCCC4)CC3)c2c1=O
InChIInChI=1S/C22H31N3O3/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/h9,11,17H,3-8,10,12-15H2,1-2H3
InChIKeyNQPHNJZVDIKPFK-UHFFFAOYSA-N
XLogP3.40
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-2-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)furo[3,2-c]pyridin-4-one
CID 53167318
3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one
CID 71838340
2-methyl-N-[(2-methylphenyl)methyl]-4-oxo-5-propylfuro[3,2-c]pyridine-3-carboxamide
CID 71838336
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
CID 17249054
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone
CID 57442857
6-methyl-3-prop-2-enyl-5-(4-propylpiperazine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950187
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773
1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
CID 113074898
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one
CID 53167263

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one (CID 71838333) is 3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one is CCCn1ccc2oc(C)c(C(=O)N3CCN(C4CCCCC4)CC3)c2c1=O.
What is the InChIKey of 3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one?
The InChIKey is NQPHNJZVDIKPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/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/h9,11,17H,3-8,10,12-15H2,1-2H3.
What are the key properties of 3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one?
3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one has a molecular weight of 385.51 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 71838333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).