4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

C21H28N4O — CID 38810454

IUPAC4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-23(2)19-10-8-18(9-11-19)21(26)22-12-13-24-14-16-25(17-15-24)20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3,(H,22,26)
InChIKeyBJKCQHBADMUXMU-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.30
Rot. Bonds6

About 4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (PubChem CID 38810454) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
PubChem CID38810454
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-23(2)19-10-8-18(9-11-19)21(26)22-12-13-24-14-16-25(17-15-24)20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3,(H,22,26)
InChIKeyBJKCQHBADMUXMU-UHFFFAOYSA-N
XLogP2.30
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 47086005
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 42266252
4-(5-methylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602275
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
4-(dimethylamino)-N-(1-phenylpiperidin-4-yl)benzamide
CID 110745886
2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
CID 46412846
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
4-(dimethylamino)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide
CID 46965112

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (CID 38810454) is 4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is CN(C)c1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is BJKCQHBADMUXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-23(2)19-10-8-18(9-11-19)21(26)22-12-13-24-14-16-25(17-15-24)20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3,(H,22,26).
What are the key properties of 4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 38810454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).