1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone

C26H26N2O3 — CID 8004468

IUPAC1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H26N2O3/c1-20(29)22-10-12-24(13-11-22)27-14-16-28(17-15-27)26(30)23-8-5-9-25(18-23)31-19-21-6-3-2-4-7-21/h2-13,18H,14-17,19H2,1H3
InChIKeyXLUQOAZURHGHJT-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.43
Rot. Bonds6

About 1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 8004468) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
PubChem CID8004468
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H26N2O3/c1-20(29)22-10-12-24(13-11-22)27-14-16-28(17-15-27)26(30)23-8-5-9-25(18-23)31-19-21-6-3-2-4-7-21/h2-13,18H,14-17,19H2,1H3
InChIKeyXLUQOAZURHGHJT-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351
1-[4-[4-(3-iodobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 26240000
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 46656199
[3-[[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]carbamoyl]phenyl] acetate
CID 58462415
(3,3-difluoroazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462347
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone (CID 8004468) is 1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is XLUQOAZURHGHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-20(29)22-10-12-24(13-11-22)27-14-16-28(17-15-27)26(30)23-8-5-9-25(18-23)31-19-21-6-3-2-4-7-21/h2-13,18H,14-17,19H2,1H3.
What are the key properties of 1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 414.51 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 8004468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).