2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone

C26H28N2O2 — CID 12505294

IUPAC2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone
SMILESCOc1ccc(CN2CCN(C(C(=O)c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O2/c1-30-24-14-12-21(13-15-24)20-27-16-18-28(19-17-27)25(22-8-4-2-5-9-22)26(29)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3
InChIKeyRUZDVXJTKJQTNZ-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.44
Rot. Bonds7

About 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone (PubChem CID 12505294) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone
PubChem CID12505294
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone
SMILESCOc1ccc(CN2CCN(C(C(=O)c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H28N2O2/c1-30-24-14-12-21(13-15-24)20-27-16-18-28(19-17-27)25(22-8-4-2-5-9-22)26(29)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3
InChIKeyRUZDVXJTKJQTNZ-UHFFFAOYSA-N
XLogP4.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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 ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 12505299
(2S)-N-(ethylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 9130513
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 90668406
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
(1S,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 12505375
(1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride
CID 90668409
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367
(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 95785630
1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine
CID 21472218
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone (CID 12505294) is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone is COc1ccc(CN2CCN(C(C(=O)c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone?
The InChIKey is RUZDVXJTKJQTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-30-24-14-12-21(13-15-24)20-27-16-18-28(19-17-27)25(22-8-4-2-5-9-22)26(29)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3.
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone?
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone has a molecular weight of 400.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone is sourced from PubChem (CID 12505294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).