1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone

C20H26N2O2 — CID 2881180

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
SMILESCCC(C)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H26N2O2/c1-3-16(2)21-10-12-22(13-11-21)20(23)15-24-19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyAGPCLKFGJGWZQP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.16
Rot. Bonds5

About 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone

1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone (PubChem CID 2881180) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
PubChem CID2881180
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone
SMILESCCC(C)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H26N2O2/c1-3-16(2)21-10-12-22(13-11-21)20(23)15-24-19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyAGPCLKFGJGWZQP-UHFFFAOYSA-N
XLogP3.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone (CID 2881180) is 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone is CCC(C)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
The InChIKey is AGPCLKFGJGWZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-16(2)21-10-12-22(13-11-21)20(23)15-24-19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14,16H,3,10-13,15H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone?
1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone has a molecular weight of 326.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 2881180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).