1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione

C17H23N5O4 — CID 122261053

IUPAC1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione
SMILESCCN1CCN(C(=O)N2CCCC(Oc3ccnc(C)n3)C2)C(=O)C1=O
InChIInChI=1S/C17H23N5O4/c1-3-20-9-10-22(16(24)15(20)23)17(25)21-8-4-5-13(11-21)26-14-6-7-18-12(2)19-14/h6-7,13H,3-5,8-11H2,1-2H3
InChIKeyJDNGWGWWTXWANL-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.44
Rot. Bonds3

About 1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione

1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione (PubChem CID 122261053) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione
PubChem CID122261053
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione
SMILESCCN1CCN(C(=O)N2CCCC(Oc3ccnc(C)n3)C2)C(=O)C1=O
InChIInChI=1S/C17H23N5O4/c1-3-20-9-10-22(16(24)15(20)23)17(25)21-8-4-5-13(11-21)26-14-6-7-18-12(2)19-14/h6-7,13H,3-5,8-11H2,1-2H3
InChIKeyJDNGWGWWTXWANL-UHFFFAOYSA-N
XLogP0.44
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
CID 122260717
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
CID 122243521
1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione
CID 90636347
1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
CID 129355975
[2-methyl-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-1-oxopropan-2-yl] acetate
CID 122260957
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate
CID 122260909
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one
CID 122260810
1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260670
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 122243623

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione (CID 122261053) is 1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione is CCN1CCN(C(=O)N2CCCC(Oc3ccnc(C)n3)C2)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione?
The InChIKey is JDNGWGWWTXWANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-3-20-9-10-22(16(24)15(20)23)17(25)21-8-4-5-13(11-21)26-14-6-7-18-12(2)19-14/h6-7,13H,3-5,8-11H2,1-2H3.
What are the key properties of 1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione?
1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione has a molecular weight of 361.40 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione is sourced from PubChem (CID 122261053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).