(4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone

C23H24N2O2S — CID 19490824

IUPAC(4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone
SMILESO=C(c1cc(COc2ccccc2)cs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24N2O2S/c26-23(22-15-20(18-28-22)17-27-21-9-5-2-6-10-21)25-13-11-24(12-14-25)16-19-7-3-1-4-8-19/h1-10,15,18H,11-14,16-17H2
InChIKeyZDASKNRMDPPWBX-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.29
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone

(4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone (PubChem CID 19490824) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone
PubChem CID19490824
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone
SMILESO=C(c1cc(COc2ccccc2)cs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H24N2O2S/c26-23(22-15-20(18-28-22)17-27-21-9-5-2-6-10-21)25-13-11-24(12-14-25)16-19-7-3-1-4-8-19/h1-10,15,18H,11-14,16-17H2
InChIKeyZDASKNRMDPPWBX-UHFFFAOYSA-N
XLogP4.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]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-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19491068
(4-benzylpiperazin-1-yl)-[4-[(4-nitrophenoxy)methyl]thiophen-2-yl]methanone
CID 19497037
(4-benzylpiperazin-1-yl)-[4-[(3,4-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471815
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(phenoxymethyl)thiophen-2-yl]methanone
CID 19490964
[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19503403
(4-benzylpiperazin-1-yl)-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19488767
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19491195
[4-[(3-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19505248
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]methanone
CID 19502970
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19493095
[4-[(4-ethylphenoxy)methyl]thiophen-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19471516
[4-[(4-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19503399

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone (CID 19490824) is (4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone is O=C(c1cc(COc2ccccc2)cs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone?
The InChIKey is ZDASKNRMDPPWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c26-23(22-15-20(18-28-22)17-27-21-9-5-2-6-10-21)25-13-11-24(12-14-25)16-19-7-3-1-4-8-19/h1-10,15,18H,11-14,16-17H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone?
(4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone has a molecular weight of 392.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 19490824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).