3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide

C26H31N3O2 — CID 11811808

IUPAC3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide
SMILESCOc1cccc(C(=O)NCCCCN2CCN(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C26H31N3O2/c1-31-23-11-6-10-22(20-23)26(30)27-14-4-5-15-28-16-18-29(19-17-28)25-13-7-9-21-8-2-3-12-24(21)25/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,27,30)
InChIKeyCQGCCVPXYLTEHT-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.18
Rot. Bonds8

About 3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide

3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide (PubChem CID 11811808) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide
PubChem CID11811808
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide
SMILESCOc1cccc(C(=O)NCCCCN2CCN(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C26H31N3O2/c1-31-23-11-6-10-22(20-23)26(30)27-14-4-5-15-28-16-18-29(19-17-28)25-13-7-9-21-8-2-3-12-24(21)25/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,27,30)
InChIKeyCQGCCVPXYLTEHT-UHFFFAOYSA-N
XLogP4.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide (CID 11811808) is 3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide is COc1cccc(C(=O)NCCCCN2CCN(c3cccc4ccccc34)CC2)c1.
What is the InChIKey of 3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide?
The InChIKey is CQGCCVPXYLTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-31-23-11-6-10-22(20-23)26(30)27-14-4-5-15-28-16-18-29(19-17-28)25-13-7-9-21-8-2-3-12-24(21)25/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,27,30).
What are the key properties of 3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide?
3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide has a molecular weight of 417.55 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 11811808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).