6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione

C15H24N2O3 — CID 116524642

IUPAC6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C2CC2)N(CC2CCC(C)(C)O2)C1=O
InChIInChI=1S/C15H24N2O3/c1-9-14(19)17(8-11-6-7-15(2,3)20-11)12(10-4-5-10)13(18)16-9/h9-12H,4-8H2,1-3H3,(H,16,18)
InChIKeyUDLQTZGVUHBOJX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.07
Rot. Bonds3

About 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione

6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 116524642) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID116524642
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C2CC2)N(CC2CCC(C)(C)O2)C1=O
InChIInChI=1S/C15H24N2O3/c1-9-14(19)17(8-11-6-7-15(2,3)20-11)12(10-4-5-10)13(18)16-9/h9-12H,4-8H2,1-3H3,(H,16,18)
InChIKeyUDLQTZGVUHBOJX-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 75529695
1-(2-Methylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229572
1-(2-Ethylpiperidin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone
CID 3229573
2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 45794860
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 45828935
(2S)-2-amino-4-methyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
CID 86814752
(2S)-2-amino-3-methyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one
CID 99852539
1-(2,6-Dimethylmorpholin-4-yl)-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanone
CID 136532898
N-[[(2R)-oxolan-2-yl]methyl]-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide
CID 164633361
(2s,3s)-2-amino-3-methyl-N-((tetrahydrofuran-2-yl)methyl)pentanamide
CID 61148967
(2S)-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 99841665
(2S)-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 99841666

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione (CID 116524642) is 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione is CC1NC(=O)C(C2CC2)N(CC2CCC(C)(C)O2)C1=O.
What is the InChIKey of 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is UDLQTZGVUHBOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9-14(19)17(8-11-6-7-15(2,3)20-11)12(10-4-5-10)13(18)16-9/h9-12H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione?
6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 116524642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).