3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione

C13H23N3O2 — CID 113462240

IUPAC3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione
SMILESCC(CC1CCCCN1)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C13H23N3O2/c1-9(7-11-5-3-4-6-14-11)16-8-12(17)15-13(18)10(16)2/h9-11,14H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyMJRDYBQYPGGWTL-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.25
Rot. Bonds3

About 3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione

3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione (PubChem CID 113462240) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione
PubChem CID113462240
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione
SMILESCC(CC1CCCCN1)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C13H23N3O2/c1-9(7-11-5-3-4-6-14-11)16-8-12(17)15-13(18)10(16)2/h9-11,14H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyMJRDYBQYPGGWTL-UHFFFAOYSA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.25
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

(4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102729049
(2S,6R)-2,6-dimethyl-1-(1-piperidin-2-ylpropan-2-yl)piperidine
CID 104969260
1-(1-piperidin-2-ylpropan-2-yl)azocane
CID 113462116
1-piperidin-2-ylpropan-2-yl formate
CID 175103047
3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione
CID 66068190
1-(azocan-2-yl)-3-methylbutan-2-one
CID 130491231
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
3-(1-pyrrolidin-2-ylpropan-2-ylamino)azepan-2-one
CID 79541557
3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione
CID 66075534
3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane
CID 135197051
3-(2-methyl-3,5-dioxopiperazin-1-yl)propanal
CID 66060825
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione (CID 113462240) is 3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione is CC(CC1CCCCN1)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione?
The InChIKey is MJRDYBQYPGGWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(7-11-5-3-4-6-14-11)16-8-12(17)15-13(18)10(16)2/h9-11,14H,3-8H2,1-2H3,(H,15,17,18).
What are the key properties of 3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione?
3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione has a molecular weight of 253.35 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione is sourced from PubChem (CID 113462240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).