6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one

C23H28N2O4 — CID 170509556

IUPAC6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(C)cc(C3CCC3)oc2=O)CC1
InChIInChI=1S/C23H28N2O4/c1-3-28-19-10-5-4-9-18(19)24-11-13-25(14-12-24)22(26)21-16(2)15-20(29-23(21)27)17-7-6-8-17/h4-5,9-10,15,17H,3,6-8,11-14H2,1-2H3
InChIKeyJLKOSPSXPZDTEL-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.58
Rot. Bonds5

About 6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one

6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one (PubChem CID 170509556) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one.

Molecular Properties

Compound Name6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one
PubChem CID170509556
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(C)cc(C3CCC3)oc2=O)CC1
InChIInChI=1S/C23H28N2O4/c1-3-28-19-10-5-4-9-18(19)24-11-13-25(14-12-24)22(26)21-16(2)15-20(29-23(21)27)17-7-6-8-17/h4-5,9-10,15,17H,3,6-8,11-14H2,1-2H3
InChIKeyJLKOSPSXPZDTEL-UHFFFAOYSA-N
XLogP3.58
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-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

6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one
CID 170507219
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one
CID 170511586
6-cyclobutyl-4-methyl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one
CID 170507797
3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35514756
4-methyl-6-piperidin-3-yl-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)pyran-2-one;dihydrochloride
CID 171712671
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38414706

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one?
The IUPAC name of 6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one (CID 170509556) is 6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one.
What is the SMILES notation for 6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one?
The canonical SMILES for 6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one is CCOc1ccccc1N1CCN(C(=O)c2c(C)cc(C3CCC3)oc2=O)CC1.
What is the InChIKey of 6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one?
The InChIKey is JLKOSPSXPZDTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-28-19-10-5-4-9-18(19)24-11-13-25(14-12-24)22(26)21-16(2)15-20(29-23(21)27)17-7-6-8-17/h4-5,9-10,15,17H,3,6-8,11-14H2,1-2H3.
What are the key properties of 6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one?
6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one has a molecular weight of 396.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-methylpyran-2-one is sourced from PubChem (CID 170509556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).