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

C21H27N3O2 — CID 11131951

IUPAC3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyLTPWRNUOYXUBGY-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.56
Rot. Bonds6

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

3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 11131951) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID11131951
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyLTPWRNUOYXUBGY-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide (CID 11131951) is 3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide is COc1cccc(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is LTPWRNUOYXUBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-6-8-19(9-7-17)24-14-12-23(13-15-24)11-10-22-21(25)18-4-3-5-20(16-18)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,25).
What are the key properties of 3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide?
3-methoxy-N-[2-[4-(4-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 3-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 11131951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).