(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone

C14H20N2O3 — CID 39260978

IUPAC(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
SMILESCCOc1cc(C(=O)N2CCNCC2)ccc1OC
InChIInChI=1S/C14H20N2O3/c1-3-19-13-10-11(4-5-12(13)18-2)14(17)16-8-6-15-7-9-16/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyBJMYKCBWOLGXOP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.14
Rot. Bonds4

About (3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone

(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone (PubChem CID 39260978) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
PubChem CID39260978
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
SMILESCCOc1cc(C(=O)N2CCNCC2)ccc1OC
InChIInChI=1S/C14H20N2O3/c1-3-19-13-10-11(4-5-12(13)18-2)14(17)16-8-6-15-7-9-16/h4-5,10,15H,3,6-9H2,1-2H3
InChIKeyBJMYKCBWOLGXOP-UHFFFAOYSA-N
XLogP1.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
1,4-diazepan-1-yl-(4-ethoxy-3-methoxyphenyl)methanone
CID 119415903
4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one
CID 31095647
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
(3-ethoxy-4-methoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371667
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
(3-bromo-4-ethoxy-5-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400084
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-ethoxy-4-methoxyphenyl)methanone
CID 38409242
imidazolidin-1-yl-(4-methoxy-3-phenylmethoxyphenyl)methanone
CID 145479370
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108543772

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone (CID 39260978) is (3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone is CCOc1cc(C(=O)N2CCNCC2)ccc1OC.
What is the InChIKey of (3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone?
The InChIKey is BJMYKCBWOLGXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-13-10-11(4-5-12(13)18-2)14(17)16-8-6-15-7-9-16/h4-5,10,15H,3,6-9H2,1-2H3.
What are the key properties of (3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone?
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone has a molecular weight of 264.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 39260978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).