2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide

C21H27N3O — CID 16889214

IUPAC2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-17-5-3-4-6-20(17)21(25)22-12-11-18-7-9-19(10-8-18)24-15-13-23(2)14-16-24/h3-10H,11-16H2,1-2H3,(H,22,25)
InChIKeyDWNDPWDWBFTRFW-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.72
Rot. Bonds5

About 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide

2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide (PubChem CID 16889214) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
PubChem CID16889214
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-17-5-3-4-6-20(17)21(25)22-12-11-18-7-9-19(10-8-18)24-15-13-23(2)14-16-24/h3-10H,11-16H2,1-2H3,(H,22,25)
InChIKeyDWNDPWDWBFTRFW-UHFFFAOYSA-N
XLogP2.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.72
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

3,4-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889269
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
4-bromo-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889266
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide
CID 16889244
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-phenylethyl)urea
CID 108888081
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 8967289
4,5-dimethoxy-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-nitrobenzamide
CID 16889252
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]oxamide
CID 16891358
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253
1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108902143
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide (CID 16889214) is 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide is Cc1ccccc1C(=O)NCCc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
The InChIKey is DWNDPWDWBFTRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17-5-3-4-6-20(17)21(25)22-12-11-18-7-9-19(10-8-18)24-15-13-23(2)14-16-24/h3-10H,11-16H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide?
2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide has a molecular weight of 337.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 16889214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).