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

C21H27N3O2 — CID 30885248

IUPAC4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-17-4-3-5-19(16-17)24-14-12-23(13-15-24)11-10-22-21(25)18-6-8-20(26-2)9-7-18/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyLLQVJTOEXGDNPS-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.56
Rot. Bonds6

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

4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 30885248) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID30885248
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-17-4-3-5-19(16-17)24-14-12-23(13-15-24)11-10-22-21(25)18-6-8-20(26-2)9-7-18/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyLLQVJTOEXGDNPS-UHFFFAOYSA-N
XLogP2.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-methylsulfonylbenzamide
CID 46462236
5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide
CID 55911151
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46410385
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide
CID 30900136
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
4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266430
N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
CID 11270403
4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 139726509
3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide
CID 43067046
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55760895

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide (CID 30885248) is 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide is COc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is LLQVJTOEXGDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-4-3-5-19(16-17)24-14-12-23(13-15-24)11-10-22-21(25)18-6-8-20(26-2)9-7-18/h3-9,16H,10-15H2,1-2H3,(H,22,25).
What are the key properties of 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide?
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 30885248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).