(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

C22H26N2O2 — CID 2970382

IUPAC(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCN(CC=Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-2-26-21-12-6-11-20(18-21)22(25)24-16-14-23(15-17-24)13-7-10-19-8-4-3-5-9-19/h3-12,18H,2,13-17H2,1H3
InChIKeyJSDAIGXTCLHOOI-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.56
Rot. Bonds6

About (3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 2970382) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID2970382
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCN(CC=Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-2-26-21-12-6-11-20(18-21)22(25)24-16-14-23(15-17-24)13-7-10-19-8-4-3-5-9-19/h3-12,18H,2,13-17H2,1H3
InChIKeyJSDAIGXTCLHOOI-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
2-(3-ethoxyphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977748
(3,4-diethoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45109399
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
[3-(dimethylamino)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6213753
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
(3,4-dihydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 113199241
(3-nitrophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1376889
(3-hydroxy-4-methoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 168948492
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of (3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 2970382) is (3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is CCOc1cccc(C(=O)N2CCN(CC=Cc3ccccc3)CC2)c1.
What is the InChIKey of (3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is JSDAIGXTCLHOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-26-21-12-6-11-20(18-21)22(25)24-16-14-23(15-17-24)13-7-10-19-8-4-3-5-9-19/h3-12,18H,2,13-17H2,1H3.
What are the key properties of (3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
(3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 350.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2970382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).