N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide

C20H25N3O — CID 30885244

IUPACN-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCc1cccc(N2CCN(CCNC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-17-6-5-9-19(16-17)23-14-12-22(13-15-23)11-10-21-20(24)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24)
InChIKeyGCIMUVZBCHHAKR-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.55
Rot. Bonds5

About N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide

N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 30885244) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID30885244
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCc1cccc(N2CCN(CCNC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-17-6-5-9-19(16-17)23-14-12-22(13-15-23)11-10-21-20(24)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24)
InChIKeyGCIMUVZBCHHAKR-UHFFFAOYSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-methylsulfonylbenzamide
CID 46462236
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide
CID 30900136
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46410385
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895
2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 30900411
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55760895
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide (CID 30885244) is N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide is Cc1cccc(N2CCN(CCNC(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is GCIMUVZBCHHAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-17-6-5-9-19(16-17)23-14-12-22(13-15-23)11-10-21-20(24)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,21,24).
What are the key properties of N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 323.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 30885244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).