(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

C22H28N2O4 — CID 120733355

IUPAC(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-4-27-20-11-10-16(14-21(20)28-5-2)22(25)24-13-12-23-15-18(24)17-8-6-7-9-19(17)26-3/h6-11,14,18,23H,4-5,12-13,15H2,1-3H3
InChIKeyHWQQHBYLOGIDIA-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.28
Rot. Bonds7

About (3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 120733355) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID120733355
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-4-27-20-11-10-16(14-21(20)28-5-2)22(25)24-13-12-23-15-18(24)17-8-6-7-9-19(17)26-3/h6-11,14,18,23H,4-5,12-13,15H2,1-3H3
InChIKeyHWQQHBYLOGIDIA-UHFFFAOYSA-N
XLogP3.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733542
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 120735196
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120733266
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 120733724
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732723

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 120733355) is (3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is HWQQHBYLOGIDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-27-20-11-10-16(14-21(20)28-5-2)22(25)24-13-12-23-15-18(24)17-8-6-7-9-19(17)26-3/h6-11,14,18,23H,4-5,12-13,15H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120733355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).