[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone

C24H25N3O2S — CID 122189062

IUPAC[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)c1
InChIInChI=1S/C24H25N3O2S/c1-25(2)21-6-3-5-20(17-21)24(29)27-14-12-26(13-15-27)23(28)19-10-8-18(9-11-19)22-7-4-16-30-22/h3-11,16-17H,12-15H2,1-2H3
InChIKeyOGRGVSAACLPSGE-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.08
Rot. Bonds4

About [4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone

[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone (PubChem CID 122189062) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is [4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone
PubChem CID122189062
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)c1
InChIInChI=1S/C24H25N3O2S/c1-25(2)21-6-3-5-20(17-21)24(29)27-14-12-26(13-15-27)23(28)19-10-8-18(9-11-19)22-7-4-16-30-22/h3-11,16-17H,12-15H2,1-2H3
InChIKeyOGRGVSAACLPSGE-UHFFFAOYSA-N
XLogP4.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of [4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone (CID 122189062) is [4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for [4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for [4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone is CN(C)c1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)c1.
What is the InChIKey of [4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is OGRGVSAACLPSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-25(2)21-6-3-5-20(17-21)24(29)27-14-12-26(13-15-27)23(28)19-10-8-18(9-11-19)22-7-4-16-30-22/h3-11,16-17H,12-15H2,1-2H3.
What are the key properties of [4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone?
[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 419.55 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 122189062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).