3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione

C13H21N3O3 — CID 66075005

IUPAC3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)CC1CCCNC1
InChIInChI=1S/C13H21N3O3/c1-13(2)12(19)15-10(17)8-16(13)11(18)6-9-4-3-5-14-7-9/h9,14H,3-8H2,1-2H3,(H,15,17,19)
InChIKeyCPWBUBJWHHXWFZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.36
Rot. Bonds2

About 3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione

3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione (PubChem CID 66075005) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione
PubChem CID66075005
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)CC1CCCNC1
InChIInChI=1S/C13H21N3O3/c1-13(2)12(19)15-10(17)8-16(13)11(18)6-9-4-3-5-14-7-9/h9,14H,3-8H2,1-2H3,(H,15,17,19)
InChIKeyCPWBUBJWHHXWFZ-UHFFFAOYSA-N
XLogP-0.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-aminocyclohexyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66069032
4-[2-[(4R)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
CID 129490167
4-[2-[(4S)-azepan-4-yl]acetyl]-3,3-dimethylpiperazin-2-one
CID 129490168
2-piperidin-3-yl-1-(2,2,5,5-tetramethylpiperidin-1-yl)ethanone
CID 138057222
4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione
CID 66076122
1-methyl-4-(2-piperidin-3-ylacetyl)piperazin-2-one
CID 64682024
3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66074634
3,3-dimethyl-4-[3-(propan-2-ylamino)propanoyl]piperazine-2,6-dione
CID 66074617
3,3-dimethyl-4-(2-propan-2-yloxyacetyl)piperazine-2,6-dione
CID 112603296
4-[2-(1,4-diazepan-1-yl)-2-oxoacetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66067869
3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione
CID 66074354
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119559612

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione (CID 66075005) is 3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)CC1CCCNC1.
What is the InChIKey of 3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione?
The InChIKey is CPWBUBJWHHXWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2)12(19)15-10(17)8-16(13)11(18)6-9-4-3-5-14-7-9/h9,14H,3-8H2,1-2H3,(H,15,17,19).
What are the key properties of 3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione?
3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione has a molecular weight of 267.33 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-piperidin-3-ylacetyl)piperazine-2,6-dione is sourced from PubChem (CID 66075005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).