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

C26H28N2O2 — CID 2977123

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c1-30-25-14-8-7-13-24(25)27-17-19-28(20-18-27)26(29)23-12-6-5-11-22(23)16-15-21-9-3-2-4-10-21/h2-14H,15-20H2,1H3
InChIKeyLMAYSBRAZVWUHE-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.44
Rot. Bonds6

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

[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone (PubChem CID 2977123) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone
PubChem CID2977123
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c1-30-25-14-8-7-13-24(25)27-17-19-28(20-18-27)26(29)23-12-6-5-11-22(23)16-15-21-9-3-2-4-10-21/h2-14H,15-20H2,1H3
InChIKeyLMAYSBRAZVWUHE-UHFFFAOYSA-N
XLogP4.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
CID 43007461
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 31301024
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 17224606
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
4-[[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile
CID 112759899
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
CID 2811414
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone (CID 2977123) is [4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone is COc1ccccc1N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone?
The InChIKey is LMAYSBRAZVWUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-30-25-14-8-7-13-24(25)27-17-19-28(20-18-27)26(29)23-12-6-5-11-22(23)16-15-21-9-3-2-4-10-21/h2-14H,15-20H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone has a molecular weight of 400.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone is sourced from PubChem (CID 2977123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).