4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one

C20H30N2O3 — CID 56916300

IUPAC4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(CC3CCOC(C)(C)C3)CC2=O)c1
InChIInChI=1S/C20H30N2O3/c1-20(2)12-17(7-10-25-20)13-21-8-9-22(19(23)15-21)14-16-5-4-6-18(11-16)24-3/h4-6,11,17H,7-10,12-15H2,1-3H3
InChIKeyPZUJGIJZLAMEAM-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.54
Rot. Bonds5

About 4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one

4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 56916300) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
PubChem CID56916300
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(CC3CCOC(C)(C)C3)CC2=O)c1
InChIInChI=1S/C20H30N2O3/c1-20(2)12-17(7-10-25-20)13-21-8-9-22(19(23)15-21)14-16-5-4-6-18(11-16)24-3/h4-6,11,17H,7-10,12-15H2,1-3H3
InChIKeyPZUJGIJZLAMEAM-UHFFFAOYSA-N
XLogP2.54
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one with MolForge

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one
CID 124755697
[4-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 95718703
1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 95707891
4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 126434003
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 126423329
1-[(4-methoxyphenyl)methyl]-4-[[(3S)-piperidin-3-yl]methyl]piperazin-2-one
CID 95863305
4-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 138382775
4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 56896768
1-(3-methoxyphenyl)-4-[[(3R)-oxan-3-yl]methyl]piperazin-2-one
CID 124755306
4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one
CID 115067815

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one (CID 56916300) is 4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one is COc1cccc(CN2CCN(CC3CCOC(C)(C)C3)CC2=O)c1.
What is the InChIKey of 4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is PZUJGIJZLAMEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2)12-17(7-10-25-20)13-21-8-9-22(19(23)15-21)14-16-5-4-6-18(11-16)24-3/h4-6,11,17H,7-10,12-15H2,1-3H3.
What are the key properties of 4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 346.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyloxan-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 56916300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).