ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate

C18H24N2O5 — CID 6620519

IUPACethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H24N2O5/c1-3-25-18(23)20-12-10-19(11-13-20)17(22)9-8-16(21)14-4-6-15(24-2)7-5-14/h4-7H,3,8-13H2,1-2H3
InChIKeyBSSDOBCMXINCDZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.96
Rot. Bonds6

About ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate

ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate (PubChem CID 6620519) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
PubChem CID6620519
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nameethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H24N2O5/c1-3-25-18(23)20-12-10-19(11-13-20)17(22)9-8-16(21)14-4-6-15(24-2)7-5-14/h4-7H,3,8-13H2,1-2H3
InChIKeyBSSDOBCMXINCDZ-UHFFFAOYSA-N
XLogP1.96
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate 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 4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carboxylate chloride
CID 53350490
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119374647
ethyl 4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110799154
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78777689
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108741298
1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione
CID 50964654
ethyl 4-[2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]acetyl]piperazine-1-carboxylate
CID 110305629
1-[(4R)-4-hydroxy-4-methylazepan-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 99946284
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 133125787

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate (CID 6620519) is ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate?
The InChIKey is BSSDOBCMXINCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-3-25-18(23)20-12-10-19(11-13-20)17(22)9-8-16(21)14-4-6-15(24-2)7-5-14/h4-7H,3,8-13H2,1-2H3.
What are the key properties of ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate?
ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 6620519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).