(4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone

C24H26N2O2S — CID 19491068

IUPAC(4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
SMILESCc1cccc(OCc2csc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)c1
InChIInChI=1S/C24H26N2O2S/c1-19-6-5-9-22(14-19)28-17-21-15-23(29-18-21)24(27)26-12-10-25(11-13-26)16-20-7-3-2-4-8-20/h2-9,14-15,18H,10-13,16-17H2,1H3
InChIKeyBJPHJOXTUZUKGT-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.59
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone

(4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone (PubChem CID 19491068) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
PubChem CID19491068
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name(4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
SMILESCc1cccc(OCc2csc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)c1
InChIInChI=1S/C24H26N2O2S/c1-19-6-5-9-22(14-19)28-17-21-15-23(29-18-21)24(27)26-12-10-25(11-13-26)16-20-7-3-2-4-8-20/h2-9,14-15,18H,10-13,16-17H2,1H3
InChIKeyBJPHJOXTUZUKGT-UHFFFAOYSA-N
XLogP4.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19491195
(4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone
CID 19490824
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19492851
(4-benzylpiperazin-1-yl)-[4-[(3,4-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471815
[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19492850
(4-benzylpiperazin-1-yl)-[4-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19488767
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19491146
ethyl 4-[4-[(3-methylphenoxy)methyl]thiophene-2-carbonyl]piperazine-1-carboxylate
CID 19491133
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19505569
[4-[(3-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19505248
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19493095
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-[(2,3,5-trimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19489113

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone (CID 19491068) is (4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone is Cc1cccc(OCc2csc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)c1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone?
The InChIKey is BJPHJOXTUZUKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-19-6-5-9-22(14-19)28-17-21-15-23(29-18-21)24(27)26-12-10-25(11-13-26)16-20-7-3-2-4-8-20/h2-9,14-15,18H,10-13,16-17H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone?
(4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone has a molecular weight of 406.55 g/mol, XLogP of 4.59, 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-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone is sourced from PubChem (CID 19491068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).