(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

C20H24N2O2 — CID 120733353

IUPAC(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O2/c1-3-15-8-10-16(11-9-15)20(23)22-13-12-21-14-18(22)17-6-4-5-7-19(17)24-2/h4-11,18,21H,3,12-14H2,1-2H3
InChIKeyUKNOEAPWOMATOC-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.04
Rot. Bonds4

About (4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 120733353) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID120733353
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O2/c1-3-15-8-10-16(11-9-15)20(23)22-13-12-21-14-18(22)17-6-4-5-7-19(17)24-2/h4-11,18,21H,3,12-14H2,1-2H3
InChIKeyUKNOEAPWOMATOC-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732723
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
[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-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120733266
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 120734009
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 120733353) is (4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCNCC2c2ccccc2OC)cc1.
What is the InChIKey of (4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is UKNOEAPWOMATOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-15-8-10-16(11-9-15)20(23)22-13-12-21-14-18(22)17-6-4-5-7-19(17)24-2/h4-11,18,21H,3,12-14H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120733353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).