1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione

C15H22N2O3 — CID 64960446

IUPAC1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C)C(=O)N1C(C)c1ccco1
InChIInChI=1S/C15H22N2O3/c1-9(2)12-13(18)16-15(4,5)14(19)17(12)10(3)11-7-6-8-20-11/h6-10,12H,1-5H3,(H,16,18)
InChIKeyNRRCIPYSGAOPOA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.10
Rot. Bonds3

About 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione

1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64960446) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64960446
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C)C(=O)N1C(C)c1ccco1
InChIInChI=1S/C15H22N2O3/c1-9(2)12-13(18)16-15(4,5)14(19)17(12)10(3)11-7-6-8-20-11/h6-10,12H,1-5H3,(H,16,18)
InChIKeyNRRCIPYSGAOPOA-UHFFFAOYSA-N
XLogP2.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
2-(Furan-2-yl)piperidine
CID 4715025
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 162515877
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-2-furamide
CID 723466
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
1-(2-Furoyl)piperazine Hydrochloride
CID 12289910
ST50925815
CID 1203008
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (CID 64960446) is 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NC(C)(C)C(=O)N1C(C)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is NRRCIPYSGAOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)12-13(18)16-15(4,5)14(19)17(12)10(3)11-7-6-8-20-11/h6-10,12H,1-5H3,(H,16,18).
What are the key properties of 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 278.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64960446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).