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

C20H24N2O2 — CID 17249640

IUPAC(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-3-24-18-9-6-8-17(15-18)20(23)22-13-11-21(12-14-22)19-10-5-4-7-16(19)2/h4-10,15H,3,11-14H2,1-2H3
InChIKeyYVUBAJYTTDOPNY-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.36
Rot. Bonds4

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

(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 17249640) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID17249640
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCCOc1cccc(C(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-3-24-18-9-6-8-17(15-18)20(23)22-13-11-21(12-14-22)19-10-5-4-7-16(19)2/h4-10,15H,3,11-14H2,1-2H3
InChIKeyYVUBAJYTTDOPNY-UHFFFAOYSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495905
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
5-amino-2-[4-(3-ethoxybenzoyl)piperazin-1-yl]benzonitrile
CID 56772543
ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate
CID 113080742
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113075435
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
(4-butoxy-3-methoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766369
1-[3-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9153319

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 17249640) is (3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is CCOc1cccc(C(=O)N2CCN(c3ccccc3C)CC2)c1.
What is the InChIKey of (3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is YVUBAJYTTDOPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-24-18-9-6-8-17(15-18)20(23)22-13-11-21(12-14-22)19-10-5-4-7-16(19)2/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17249640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).