3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one

C13H22N2O3 — CID 63362415

IUPAC3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CCC1CCCO1
InChIInChI=1S/C13H22N2O3/c1-13(2)12(17)14-7-8-15(13)11(16)6-5-10-4-3-9-18-10/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyTZQMYXSBGFCHGY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds3

About 3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one

3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one (PubChem CID 63362415) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one
PubChem CID63362415
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CCC1CCCO1
InChIInChI=1S/C13H22N2O3/c1-13(2)12(17)14-7-8-15(13)11(16)6-5-10-4-3-9-18-10/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyTZQMYXSBGFCHGY-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazine-2,6-dione
CID 66074953
(7S)-1-[3-[(2S)-oxolan-2-yl]propanoyl]-7-phenyl-1,4-diazepan-5-one
CID 95580426
(3R)-3-methyl-4-[2-[(2R)-oxan-2-yl]acetyl]-3-propylpiperazin-2-one
CID 129400303
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
1-[3-(oxan-2-yl)propanoyl]-1,4-diazepan-5-one
CID 63938684
3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one
CID 63940202
4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63607222
4-[2-[(4S)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
CID 129490168
3,3-dimethyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
CID 66074558
4-[2-(2-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63600409
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 80707454
4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63600754

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one (CID 63362415) is 3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)CCC1CCCO1.
What is the InChIKey of 3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one?
The InChIKey is TZQMYXSBGFCHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2)12(17)14-7-8-15(13)11(16)6-5-10-4-3-9-18-10/h10H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one?
3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one has a molecular weight of 254.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[3-(oxolan-2-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 63362415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).