[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone

C26H26N2O3 — CID 9415493

IUPAC[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C26H26N2O3/c1-2-31-24-11-7-6-10-23(24)27-16-18-28(19-17-27)26(30)22-14-12-21(13-15-22)25(29)20-8-4-3-5-9-20/h3-15H,2,16-19H2,1H3
InChIKeyZAWNHUYYGUQPGS-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.28
Rot. Bonds6

About [4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone

[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 9415493) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is [4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID9415493
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C26H26N2O3/c1-2-31-24-11-7-6-10-23(24)27-16-18-28(19-17-27)26(30)22-14-12-21(13-15-22)25(29)20-8-4-3-5-9-20/h3-15H,2,16-19H2,1H3
InChIKeyZAWNHUYYGUQPGS-UHFFFAOYSA-N
XLogP4.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzonitrile
CID 9415484
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
3-[2-(4-benzoylpiperazin-1-yl)phenoxy]propanoic acid
CID 22399381
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9069026
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 7922217
(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 112759903
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone (CID 9415493) is [4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone is CCOc1ccccc1N1CCN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of [4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is ZAWNHUYYGUQPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-2-31-24-11-7-6-10-23(24)27-16-18-28(19-17-27)26(30)22-14-12-21(13-15-22)25(29)20-8-4-3-5-9-20/h3-15H,2,16-19H2,1H3.
What are the key properties of [4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 414.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 9415493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).