(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone

C26H28N2O2 — CID 1070537

IUPAC(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c1-2-30-24-16-10-9-15-23(24)26(29)28-19-17-27(18-20-28)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,25H,2,17-20H2,1H3
InChIKeyHETVXAOXTDUYDJ-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.63
Rot. Bonds6

About (4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone

(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone (PubChem CID 1070537) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
PubChem CID1070537
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c1-2-30-24-16-10-9-15-23(24)26(29)28-19-17-27(18-20-28)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,25H,2,17-20H2,1H3
InChIKeyHETVXAOXTDUYDJ-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzhydrylpiperazin-1-yl)-(2-phenylmethoxyphenyl)methanone
CID 4946404
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 112760338
(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95613064
(3S)-3-[4-(2-ethoxybenzoyl)piperazin-1-yl]butanenitrile
CID 94498277
(2S)-2-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119285208
3-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119285201
[4-(2-bromoethyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 80661320
1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328320
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]benzamide
CID 38859014
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone (CID 1070537) is (4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is HETVXAOXTDUYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-2-30-24-16-10-9-15-23(24)26(29)28-19-17-27(18-20-28)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,25H,2,17-20H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone?
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 400.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 1070537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).