2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone

C22H33N3O4 — CID 55544127

IUPAC2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C22H33N3O4/c1-4-18-7-5-6-10-25(18)21(26)16-23-11-13-24(14-12-23)22(27)17-8-9-19(28-2)20(15-17)29-3/h8-9,15,18H,4-7,10-14,16H2,1-3H3
InChIKeyCVHTWHFEEULUOP-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.25
Rot. Bonds6

About 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone

2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 55544127) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID55544127
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C22H33N3O4/c1-4-18-7-5-6-10-25(18)21(26)16-23-11-13-24(14-12-23)22(27)17-8-9-19(28-2)20(15-17)29-3/h8-9,15,18H,4-7,10-14,16H2,1-3H3
InChIKeyCVHTWHFEEULUOP-UHFFFAOYSA-N
XLogP2.25
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 78850596
(2-ethylpiperidin-1-yl)-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112760228
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 53193381
2-[4-(4-methoxy-3-nitrobenzoyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 55564135
[2-(2-chloroethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63393532
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084
[4-(2-cyclohexylethyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 168948500
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
(3,4-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 164638183
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone (CID 55544127) is 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is CVHTWHFEEULUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-4-18-7-5-6-10-25(18)21(26)16-23-11-13-24(14-12-23)22(27)17-8-9-19(28-2)20(15-17)29-3/h8-9,15,18H,4-7,10-14,16H2,1-3H3.
What are the key properties of 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 403.52 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 55544127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).