6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione

C16H22N2O3 — CID 107851340

IUPAC6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CCc1cccc(OC)c1
InChIInChI=1S/C16H22N2O3/c1-4-14-15(19)17-11(2)16(20)18(14)9-8-12-6-5-7-13(10-12)21-3/h5-7,10-11,14H,4,8-9H2,1-3H3,(H,17,19)
InChIKeyLECNSVBWFLTIJS-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.36
Rot. Bonds5

About 6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione

6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione (PubChem CID 107851340) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione
PubChem CID107851340
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CCc1cccc(OC)c1
InChIInChI=1S/C16H22N2O3/c1-4-14-15(19)17-11(2)16(20)18(14)9-8-12-6-5-7-13(10-12)21-3/h5-7,10-11,14H,4,8-9H2,1-3H3,(H,17,19)
InChIKeyLECNSVBWFLTIJS-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498
(3S,6R)-6-[(1S)-1-hydroxyethyl]-1-[(3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 95735484
3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902779
1-[2-(3-methoxyphenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 107851334
methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate
CID 107850027
3-methyl-1-(2-phenoxyethyl)-6-propylpiperazine-2,5-dione
CID 64874866
1-[(5-bromo-2-methoxyphenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 64875448
6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
CID 82947001
3-cyclopropyl-6-ethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963576
1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 105410252
3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963601
1-methoxy-3-propylbenzene
CID 14270128

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione (CID 107851340) is 6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1CCc1cccc(OC)c1.
What is the InChIKey of 6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione?
The InChIKey is LECNSVBWFLTIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-14-15(19)17-11(2)16(20)18(14)9-8-12-6-5-7-13(10-12)21-3/h5-7,10-11,14H,4,8-9H2,1-3H3,(H,17,19).
What are the key properties of 6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione?
6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[2-(3-methoxyphenyl)ethyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 107851340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).