(2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone

C19H28N2O3 — CID 126828160

IUPAC(2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone
SMILESCOC1COCCC1N1CCN(C(=O)c2c(C)cccc2C)CC1
InChIInChI=1S/C19H28N2O3/c1-14-5-4-6-15(2)18(14)19(22)21-10-8-20(9-11-21)16-7-12-24-13-17(16)23-3/h4-6,16-17H,7-13H2,1-3H3
InChIKeyHGMQNVPXGOZCLH-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.87
Rot. Bonds3

About (2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone

(2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone (PubChem CID 126828160) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone
PubChem CID126828160
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone
SMILESCOC1COCCC1N1CCN(C(=O)c2c(C)cccc2C)CC1
InChIInChI=1S/C19H28N2O3/c1-14-5-4-6-15(2)18(14)19(22)21-10-8-20(9-11-21)16-7-12-24-13-17(16)23-3/h4-6,16-17H,7-13H2,1-3H3
InChIKeyHGMQNVPXGOZCLH-UHFFFAOYSA-N
XLogP1.87
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone (CID 126828160) is (2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone is COC1COCCC1N1CCN(C(=O)c2c(C)cccc2C)CC1.
What is the InChIKey of (2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone?
The InChIKey is HGMQNVPXGOZCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-5-4-6-15(2)18(14)19(22)21-10-8-20(9-11-21)16-7-12-24-13-17(16)23-3/h4-6,16-17H,7-13H2,1-3H3.
What are the key properties of (2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone?
(2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-[4-(3-methoxyoxan-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126828160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).