3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione

C16H22N2O3 — CID 64964724

IUPAC3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione
SMILESCC(Cc1ccco1)N1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C16H22N2O3/c1-10(9-13-5-4-8-21-13)18-11(2)14(19)17-16(3,15(18)20)12-6-7-12/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyIJTUESRWTPHCBX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.73
Rot. Bonds4

About 3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione

3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64964724) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione
PubChem CID64964724
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione
SMILESCC(Cc1ccco1)N1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C16H22N2O3/c1-10(9-13-5-4-8-21-13)18-11(2)14(19)17-16(3,15(18)20)12-6-7-12/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyIJTUESRWTPHCBX-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
CID 64964376
1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64964702
3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione
CID 64957705
3-cyclopropyl-3,6-dimethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine-2,5-dione
CID 64965135
4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266
3-cyclopropyl-1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65043459
5-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-5-methyl-2-propan-2-ylpiperazine
CID 64945850
1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione
CID 64966669
1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64970006
1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
CID 64964752
3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64886897
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione (CID 64964724) is 3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione is CC(Cc1ccco1)N1C(=O)C(C)(C2CC2)NC(=O)C1C.
What is the InChIKey of 3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is IJTUESRWTPHCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(9-13-5-4-8-21-13)18-11(2)14(19)17-16(3,15(18)20)12-6-7-12/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione?
3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64964724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).