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

C20H24N2O2 — CID 129043282

IUPAC[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCCOc1cccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-3-24-19-6-4-5-18(15-19)21-11-13-22(14-12-21)20(23)17-9-7-16(2)8-10-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyJHHKWCRTZFBSNT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.36
Rot. Bonds4

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

[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 129043282) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID129043282
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCCOc1cccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-3-24-19-6-4-5-18(15-19)21-11-13-22(14-12-21)20(23)17-9-7-16(2)8-10-17/h4-10,15H,3,11-14H2,1-2H3
InChIKeyJHHKWCRTZFBSNT-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]-(4-methylphenyl)methanone
CID 110495905
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
ethyl 4-[4-(4-methylbenzoyl)piperazin-1-yl]benzoate
CID 113079814
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
(3,4-dimethylphenyl)-[4-(4-ethoxyphenyl)piperazin-1-yl]methanone
CID 113077431
3-[3-(4-benzoylpiperazin-1-yl)phenoxy]propanoic acid
CID 22399263
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 129043282) is [4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone is CCOc1cccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of [4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is JHHKWCRTZFBSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-24-19-6-4-5-18(15-19)21-11-13-22(14-12-21)20(23)17-9-7-16(2)8-10-17/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of [4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)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 [4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 129043282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).