(2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone

C22H28N2O4 — CID 1122464

IUPAC(2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1
InChIInChI=1S/C22H28N2O4/c1-4-28-18-10-8-17(9-11-18)16-23-12-14-24(15-13-23)22(25)19-6-5-7-20(26-2)21(19)27-3/h5-11H,4,12-16H2,1-3H3
InChIKeyFGEIXUZQZLKVNM-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.06
Rot. Bonds7

About (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone

(2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 1122464) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID1122464
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1
InChIInChI=1S/C22H28N2O4/c1-4-28-18-10-8-17(9-11-18)16-23-12-14-24(15-13-23)22(25)19-6-5-7-20(26-2)21(19)27-3/h5-11H,4,12-16H2,1-3H3
InChIKeyFGEIXUZQZLKVNM-UHFFFAOYSA-N
XLogP3.06
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(2,3-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483246
(2,3-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 17366104
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 2878210
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 19323261
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methoxy-2-methylphenyl)methanone
CID 19325526
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
[4-[(4-bromophenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 1002548
CID 163403651
CID 163403651
(4-benzyl-1,4-diazepan-1-yl)-(3-methoxy-2-methylphenyl)methanone
CID 136553249
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78829498

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 1122464) is (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone is CCOc1ccc(CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1.
What is the InChIKey of (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is FGEIXUZQZLKVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-28-18-10-8-17(9-11-18)16-23-12-14-24(15-13-23)22(25)19-6-5-7-20(26-2)21(19)27-3/h5-11H,4,12-16H2,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1122464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).