3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide

C24H27N3O2 — CID 11090403

IUPAC3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C24H27N3O2/c1-29-21-9-4-8-20(18-21)24(28)25-12-13-26-14-16-27(17-15-26)23-11-5-7-19-6-2-3-10-22(19)23/h2-11,18H,12-17H2,1H3,(H,25,28)
InChIKeyLNJYRDUSWBJTCS-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.40
Rot. Bonds6

About 3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide

3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 11090403) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID11090403
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C24H27N3O2/c1-29-21-9-4-8-20(18-21)24(28)25-12-13-26-14-16-27(17-15-26)23-11-5-7-19-6-2-3-10-22(19)23/h2-11,18H,12-17H2,1H3,(H,25,28)
InChIKeyLNJYRDUSWBJTCS-UHFFFAOYSA-N
XLogP3.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide (CID 11090403) is 3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide is COc1cccc(C(=O)NCCN2CCN(c3cccc4ccccc34)CC2)c1.
What is the InChIKey of 3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is LNJYRDUSWBJTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-21-9-4-8-20(18-21)24(28)25-12-13-26-14-16-27(17-15-26)23-11-5-7-19-6-2-3-10-22(19)23/h2-11,18H,12-17H2,1H3,(H,25,28).
What are the key properties of 3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide?
3-methoxy-N-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.40, 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-naphthalen-1-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 11090403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).