[4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C16H22N2O3 — CID 2862455

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H22N2O3/c1-20-14-6-3-2-5-13(14)17-8-10-18(11-9-17)16(19)15-7-4-12-21-15/h2-3,5-6,15H,4,7-12H2,1H3
InChIKeySZOFGXWNOQFYJL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.52
Rot. Bonds3

About [4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 2862455) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID2862455
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H22N2O3/c1-20-14-6-3-2-5-13(14)17-8-10-18(11-9-17)16(19)15-7-4-12-21-15/h2-3,5-6,15H,4,7-12H2,1H3
InChIKeySZOFGXWNOQFYJL-UHFFFAOYSA-N
XLogP1.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 2862455) is [4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone is COc1ccccc1N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is SZOFGXWNOQFYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-14-6-3-2-5-13(14)17-8-10-18(11-9-17)16(19)15-7-4-12-21-15/h2-3,5-6,15H,4,7-12H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 290.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 2862455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).