1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one

C19H29N3O3 — CID 70752874

IUPAC1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one
SMILESCOCCN(C)CC(=O)N1CCN(Cc2cc(C)cc(C)c2)C(=O)C1
InChIInChI=1S/C19H29N3O3/c1-15-9-16(2)11-17(10-15)12-21-5-6-22(14-19(21)24)18(23)13-20(3)7-8-25-4/h9-11H,5-8,12-14H2,1-4H3
InChIKeyWQMKIPFQPPZQKA-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.05
Rot. Bonds7

About 1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one

1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one (PubChem CID 70752874) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one
PubChem CID70752874
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one
SMILESCOCCN(C)CC(=O)N1CCN(Cc2cc(C)cc(C)c2)C(=O)C1
InChIInChI=1S/C19H29N3O3/c1-15-9-16(2)11-17(10-15)12-21-5-6-22(14-19(21)24)18(23)13-20(3)7-8-25-4/h9-11H,5-8,12-14H2,1-4H3
InChIKeyWQMKIPFQPPZQKA-UHFFFAOYSA-N
XLogP1.05
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 70715796
1-[(3,5-dimethylphenyl)methyl]-4-(1-methylpyrazole-3-carbonyl)piperazin-2-one
CID 70788477
4-[(3,5-dimethylphenyl)methyl]-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-oxopiperazine-1-carboxamide
CID 122563755
1-[(3,5-dimethylphenyl)methyl]-4-[(2S)-2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 96576364
1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride
CID 119795968
4-[(3,5-dimethylphenyl)methyl]-N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
CID 125438861
4-[(3,5-dimethylphenyl)methyl]-N-(1-ethyl-5-oxopyrrolidin-3-yl)-3-oxopiperazine-1-carboxamide
CID 122560678
1-[(3,5-dimethylphenyl)methyl]-4-(5-propyl-1H-pyrazole-4-carbonyl)piperazin-2-one
CID 70767260
4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 95870160
methyl 2-[4-[(3,5-dimethylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-3-carboxylate
CID 70747461
3-chloro-N-[2-[3-[(4-chlorophenyl)methyl]-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 59434037
methyl N-[(2R)-1-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 96572112

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one (CID 70752874) is 1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one is COCCN(C)CC(=O)N1CCN(Cc2cc(C)cc(C)c2)C(=O)C1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one?
The InChIKey is WQMKIPFQPPZQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15-9-16(2)11-17(10-15)12-21-5-6-22(14-19(21)24)18(23)13-20(3)7-8-25-4/h9-11H,5-8,12-14H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one?
1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one has a molecular weight of 347.46 g/mol, XLogP of 1.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-4-[2-[2-methoxyethyl(methyl)amino]acetyl]piperazin-2-one is sourced from PubChem (CID 70752874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).