3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione

C16H22N2O3 — CID 64965675

IUPAC3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1C(C)c1ccc(C)o1
InChIInChI=1S/C16H22N2O3/c1-4-12-15(19)17-14(11-6-7-11)16(20)18(12)10(3)13-8-5-9(2)21-13/h5,8,10-12,14H,4,6-7H2,1-3H3,(H,17,19)
InChIKeyRCQDEGZWESJUCR-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.16
Rot. Bonds4

About 3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione

3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64965675) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64965675
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1C(C)c1ccc(C)o1
InChIInChI=1S/C16H22N2O3/c1-4-12-15(19)17-14(11-6-7-11)16(20)18(12)10(3)13-8-5-9(2)21-13/h5,8,10-12,14H,4,6-7H2,1-3H3,(H,17,19)
InChIKeyRCQDEGZWESJUCR-UHFFFAOYSA-N
XLogP2.16
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
CID 64965627
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
3-cyclopropyl-6-ethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957333
3-cyclopropyl-6-ethyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64968978
6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965569
3-cyclopropyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64886762
3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965003
1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965650
2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide
CID 70993431
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide
CID 11511019
3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64960457
3-cyclopropyl-6-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,5-dione
CID 64885620

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione (CID 64965675) is 3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1C(C)c1ccc(C)o1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is RCQDEGZWESJUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-12-15(19)17-14(11-6-7-11)16(20)18(12)10(3)13-8-5-9(2)21-13/h5,8,10-12,14H,4,6-7H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64965675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).