1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone

C22H28N2O3 — CID 1379092

IUPAC1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCCOc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)ccc1OC
InChIInChI=1S/C22H28N2O3/c1-4-27-22-15-18(5-10-21(22)26-3)16-23-11-13-24(14-12-23)20-8-6-19(7-9-20)17(2)25/h5-10,15H,4,11-14,16H2,1-3H3
InChIKeyOSEPQEMPSJZRRF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.62
Rot. Bonds7

About 1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 1379092) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone
PubChem CID1379092
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCCOc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)ccc1OC
InChIInChI=1S/C22H28N2O3/c1-4-27-22-15-18(5-10-21(22)26-3)16-23-11-13-24(14-12-23)20-8-6-19(7-9-20)17(2)25/h5-10,15H,4,11-14,16H2,1-3H3
InChIKeyOSEPQEMPSJZRRF-UHFFFAOYSA-N
XLogP3.62
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Dimethylamino-3',4'-dimethoxychalcone
CID 6156423
1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
1-(3-Ethoxy-4-methoxybenzyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1067896
1-(4-(3-(4-(4-Fluorophenyl)piperazin-1-yl)-2-hydroxypropoxy)-3-methoxyphenyl)ethanone
CID 2946224
(3,4-diethoxyphenyl)(2,3-dihydro-1H-indol-1-yl)methanone
CID 776356
(3,4-Dimethoxyphenyl)[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991756
3,4-dimethoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 1086052
3,4-Dimethoxy-N-[4-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 1134573
(3,4-Dimethoxyphenyl)[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 1262765
2-{4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]piperazin-1-yl}-N-(4-ethoxyphenyl)acetamide
CID 3241777
N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 880491
1-(3-fluoro-4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10003368

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone (CID 1379092) is 1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone is CCOc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)ccc1OC.
What is the InChIKey of 1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is OSEPQEMPSJZRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-27-22-15-18(5-10-21(22)26-3)16-23-11-13-24(14-12-23)20-8-6-19(7-9-20)17(2)25/h5-10,15H,4,11-14,16H2,1-3H3.
What are the key properties of 1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 368.48 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 1379092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).