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

C25H26N2O3 — CID 2994482

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H26N2O3/c1-29-24-10-6-5-9-23(24)26-15-17-27(18-16-26)25(28)21-11-13-22(14-12-21)30-19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3
InChIKeyUBHSXSIOAFRBJE-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.24
Rot. Bonds6

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

[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone (PubChem CID 2994482) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
PubChem CID2994482
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C25H26N2O3/c1-29-24-10-6-5-9-23(24)26-15-17-27(18-16-26)25(28)21-11-13-22(14-12-21)30-19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3
InChIKeyUBHSXSIOAFRBJE-UHFFFAOYSA-N
XLogP4.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 24825192
[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2969584
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4594277
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665248
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid
CID 20985299
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylmethoxyphenyl)methanone
CID 27515102
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 13053562

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone (CID 2994482) is [4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone is COc1ccccc1N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
The InChIKey is UBHSXSIOAFRBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-29-24-10-6-5-9-23(24)26-15-17-27(18-16-26)25(28)21-11-13-22(14-12-21)30-19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone has a molecular weight of 402.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 2994482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).