N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide

C20H27N3O5 — CID 113097881

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)CNC(=O)C(=O)C2CCOCC2)CC1
InChIInChI=1S/C20H27N3O5/c1-27-17-5-3-2-4-16(17)22-8-10-23(11-9-22)18(24)14-21-20(26)19(25)15-6-12-28-13-7-15/h2-5,15H,6-14H2,1H3,(H,21,26)
InChIKeyHDGUCFWCJSCPAB-UHFFFAOYSA-N
MW389.45 g/mol
LogP0.46
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide (PubChem CID 113097881) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide
PubChem CID113097881
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)CNC(=O)C(=O)C2CCOCC2)CC1
InChIInChI=1S/C20H27N3O5/c1-27-17-5-3-2-4-16(17)22-8-10-23(11-9-22)18(24)14-21-20(26)19(25)15-6-12-28-13-7-15/h2-5,15H,6-14H2,1H3,(H,21,26)
InChIKeyHDGUCFWCJSCPAB-UHFFFAOYSA-N
XLogP0.46
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide 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

ethyl 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097878
2-cyclobutyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxoacetamide
CID 113097513
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methylphenyl)-2-oxoacetamide
CID 113097868
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796728
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 7494425
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 29260837
2,4-dihydroxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]butanamide;hydrochloride
CID 70091931
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide (CID 113097881) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide is COc1ccccc1N1CCN(C(=O)CNC(=O)C(=O)C2CCOCC2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide?
The InChIKey is HDGUCFWCJSCPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-27-17-5-3-2-4-16(17)22-8-10-23(11-9-22)18(24)14-21-20(26)19(25)15-6-12-28-13-7-15/h2-5,15H,6-14H2,1H3,(H,21,26).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide has a molecular weight of 389.45 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(oxan-4-yl)-2-oxoacetamide is sourced from PubChem (CID 113097881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).