[4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone

C24H33N3O2 — CID 68761390

IUPAC[4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone
SMILESCOCCN1CCN(C(=O)C2CC(NC(C)c3cccc4ccccc34)C2)CC1
InChIInChI=1S/C24H33N3O2/c1-18(22-9-5-7-19-6-3-4-8-23(19)22)25-21-16-20(17-21)24(28)27-12-10-26(11-13-27)14-15-29-2/h3-9,18,20-21,25H,10-17H2,1-2H3
InChIKeyZEGKFKHFPSASMK-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.06
Rot. Bonds7

About [4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone

[4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone (PubChem CID 68761390) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone
PubChem CID68761390
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name[4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone
SMILESCOCCN1CCN(C(=O)C2CC(NC(C)c3cccc4ccccc34)C2)CC1
InChIInChI=1S/C24H33N3O2/c1-18(22-9-5-7-19-6-3-4-8-23(19)22)25-21-16-20(17-21)24(28)27-12-10-26(11-13-27)14-15-29-2/h3-9,18,20-21,25H,10-17H2,1-2H3
InChIKeyZEGKFKHFPSASMK-UHFFFAOYSA-N
XLogP3.06
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone?
The IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone (CID 68761390) is [4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone is COCCN1CCN(C(=O)C2CC(NC(C)c3cccc4ccccc34)C2)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone?
The InChIKey is ZEGKFKHFPSASMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-18(22-9-5-7-19-6-3-4-8-23(19)22)25-21-16-20(17-21)24(28)27-12-10-26(11-13-27)14-15-29-2/h3-9,18,20-21,25H,10-17H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone?
[4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone has a molecular weight of 395.55 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperazin-1-yl]-[3-(1-naphthalen-1-ylethylamino)cyclobutyl]methanone is sourced from PubChem (CID 68761390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).