4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone

C14H22N2O3 — CID 143432827

IUPAC4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)C2=CCCC=CO2)CC1
InChIInChI=1S/C14H22N2O3/c1-18-12-10-15-6-8-16(9-7-15)14(17)13-5-3-2-4-11-19-13/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyXYQZEBBJWCTTRC-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.99
Rot. Bonds4

About 4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone

4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 143432827) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID143432827
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)C2=CCCC=CO2)CC1
InChIInChI=1S/C14H22N2O3/c1-18-12-10-15-6-8-16(9-7-15)14(17)13-5-3-2-4-11-19-13/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyXYQZEBBJWCTTRC-UHFFFAOYSA-N
XLogP0.99
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of 4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 143432827) is 4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for 4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)C2=CCCC=CO2)CC1.
What is the InChIKey of 4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is XYQZEBBJWCTTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-12-10-15-6-8-16(9-7-15)14(17)13-5-3-2-4-11-19-13/h4-5,11H,2-3,6-10,12H2,1H3.
What are the key properties of 4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 266.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrooxepin-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 143432827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).