(3-ethoxyphenyl)-piperazin-1-ylmethanone

C13H18N2O2 — CID 39255484

IUPAC(3-ethoxyphenyl)-piperazin-1-ylmethanone
SMILESCCOc1cccc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C13H18N2O2/c1-2-17-12-5-3-4-11(10-12)13(16)15-8-6-14-7-9-15/h3-5,10,14H,2,6-9H2,1H3
InChIKeyCCMNSODNCLHUKT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds3

About (3-ethoxyphenyl)-piperazin-1-ylmethanone

(3-ethoxyphenyl)-piperazin-1-ylmethanone (PubChem CID 39255484) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-ethoxyphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-piperazin-1-ylmethanone
PubChem CID39255484
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-ethoxyphenyl)-piperazin-1-ylmethanone
SMILESCCOc1cccc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C13H18N2O2/c1-2-17-12-5-3-4-11(10-12)13(16)15-8-6-14-7-9-15/h3-5,10,14H,2,6-9H2,1H3
InChIKeyCCMNSODNCLHUKT-UHFFFAOYSA-N
XLogP1.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
1,4-diazepan-1-yl-[3-(2-methoxyethoxy)phenyl]methanone
CID 119414051
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495905
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
[3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone
CID 58347598
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone
CID 82265444
1,4-diazepan-1-yl-(4-ethoxyphenyl)methanone;hydrochloride
CID 119417655
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
6-(3-ethoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175460

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (3-ethoxyphenyl)-piperazin-1-ylmethanone (CID 39255484) is (3-ethoxyphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-ethoxyphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-ethoxyphenyl)-piperazin-1-ylmethanone is CCOc1cccc(C(=O)N2CCNCC2)c1.
What is the InChIKey of (3-ethoxyphenyl)-piperazin-1-ylmethanone?
The InChIKey is CCMNSODNCLHUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-12-5-3-4-11(10-12)13(16)15-8-6-14-7-9-15/h3-5,10,14H,2,6-9H2,1H3.
What are the key properties of (3-ethoxyphenyl)-piperazin-1-ylmethanone?
(3-ethoxyphenyl)-piperazin-1-ylmethanone has a molecular weight of 234.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 39255484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).