4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one

C16H24N2O3 — CID 50983752

IUPAC4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one
SMILESCOCc1cc(CN2CCN(C)C(=O)C2C)ccc1OC
InChIInChI=1S/C16H24N2O3/c1-12-16(19)17(2)7-8-18(12)10-13-5-6-15(21-4)14(9-13)11-20-3/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyVPVTVTBLMDIGJA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.50
Rot. Bonds5

About 4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one

4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one (PubChem CID 50983752) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one
PubChem CID50983752
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one
SMILESCOCc1cc(CN2CCN(C)C(=O)C2C)ccc1OC
InChIInChI=1S/C16H24N2O3/c1-12-16(19)17(2)7-8-18(12)10-13-5-6-15(21-4)14(9-13)11-20-3/h5-6,9,12H,7-8,10-11H2,1-4H3
InChIKeyVPVTVTBLMDIGJA-UHFFFAOYSA-N
XLogP1.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,3-dimethylpiperazin-2-one
CID 95206781
(3aR,6S,7aS)-3a,6-dimethoxy-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3,4,5,6,7,7a-hexahydro-2H-indole
CID 118772693
9-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56912030
(3aR,6R,7aS)-3a-methoxy-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
CID 118784992
2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine
CID 77097117
(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93292204
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 51907398
2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 29021777
(2S)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methyl-1,4-diazepan-5-one
CID 95195109
(3R,4S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 133122949
1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one
CID 56706210

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one (CID 50983752) is 4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one is COCc1cc(CN2CCN(C)C(=O)C2C)ccc1OC.
What is the InChIKey of 4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one?
The InChIKey is VPVTVTBLMDIGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-16(19)17(2)7-8-18(12)10-13-5-6-15(21-4)14(9-13)11-20-3/h5-6,9,12H,7-8,10-11H2,1-4H3.
What are the key properties of 4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one?
4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 50983752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).