cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone

C22H32N2O5 — CID 56510742

IUPACcyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C22H32N2O5/c1-4-27-18-14-17(15-19(28-5-2)20(18)29-6-3)22(26)24-12-10-23(11-13-24)21(25)16-8-7-9-16/h14-16H,4-13H2,1-3H3
InChIKeyKKRCJASHUKHSFS-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.97
Rot. Bonds8

About cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone

cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 56510742) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
PubChem CID56510742
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Namecyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C22H32N2O5/c1-4-27-18-14-17(15-19(28-5-2)20(18)29-6-3)22(26)24-12-10-23(11-13-24)21(25)16-8-7-9-16/h14-16H,4-13H2,1-3H3
InChIKeyKKRCJASHUKHSFS-UHFFFAOYSA-N
XLogP2.97
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[4-(3,4,5-triethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544633
cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone
CID 110803776
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965
cyclopentyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807508
cyclobutyl-[4-(4-ethoxy-2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110809311
cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone
CID 56511756
cyclopropyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806481
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]pentane-1,4-dione
CID 108534384
[4-(methylaminomethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone;hydrochloride
CID 119543739
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 110294879

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone (CID 56510742) is cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone is CCOc1cc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc(OCC)c1OCC.
What is the InChIKey of cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is KKRCJASHUKHSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-4-27-18-14-17(15-19(28-5-2)20(18)29-6-3)22(26)24-12-10-23(11-13-24)21(25)16-8-7-9-16/h14-16H,4-13H2,1-3H3.
What are the key properties of cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56510742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).