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

C26H28N2O3 — CID 9415526

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C26H28N2O3/c1-2-30-25-14-7-6-13-24(25)27-15-17-28(18-16-27)26(29)22-11-8-12-23(19-22)31-20-21-9-4-3-5-10-21/h3-14,19H,2,15-18,20H2,1H3
InChIKeyFAWVTRGWGJUVIJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.63
Rot. Bonds7

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

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone (PubChem CID 9415526) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
PubChem CID9415526
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C26H28N2O3/c1-2-30-25-14-7-6-13-24(25)27-15-17-28(18-16-27)26(29)22-11-8-12-23(19-22)31-20-21-9-4-3-5-10-21/h3-14,19H,2,15-18,20H2,1H3
InChIKeyFAWVTRGWGJUVIJ-UHFFFAOYSA-N
XLogP4.63
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46671432
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzonitrile
CID 9415484
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone (CID 9415526) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone is CCOc1ccccc1N1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The InChIKey is FAWVTRGWGJUVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-2-30-25-14-7-6-13-24(25)27-15-17-28(18-16-27)26(29)22-11-8-12-23(19-22)31-20-21-9-4-3-5-10-21/h3-14,19H,2,15-18,20H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone has a molecular weight of 416.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 9415526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).