3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide

C22H29N3O — CID 16889269

IUPAC3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)cc1C
InChIInChI=1S/C22H29N3O/c1-17-4-7-20(16-18(17)2)22(26)23-11-10-19-5-8-21(9-6-19)25-14-12-24(3)13-15-25/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyQEOILAGKGGCKMS-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.03
Rot. Bonds5

About 3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide

3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide (PubChem CID 16889269) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
PubChem CID16889269
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)cc1C
InChIInChI=1S/C22H29N3O/c1-17-4-7-20(16-18(17)2)22(26)23-11-10-19-5-8-21(9-6-19)25-14-12-24(3)13-15-25/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyQEOILAGKGGCKMS-UHFFFAOYSA-N
XLogP3.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889266
2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889214
4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-nitrobenzamide
CID 16889287
3,4-dichloro-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]benzamide
CID 16889710
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
4-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-nitrobenzamide
CID 99970857
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide
CID 16889244
N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230260
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109182

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide (CID 16889269) is 3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide is Cc1ccc(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
The InChIKey is QEOILAGKGGCKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17-4-7-20(16-18(17)2)22(26)23-11-10-19-5-8-21(9-6-19)25-14-12-24(3)13-15-25/h4-9,16H,10-15H2,1-3H3,(H,23,26).
What are the key properties of 3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide has a molecular weight of 351.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 16889269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).