3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione

C16H28N4O2 — CID 166117554

IUPAC3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione
SMILESCN1CCC(N2CCC(NC3CCC(=O)NC3=O)CC2)CC1
InChIInChI=1S/C16H28N4O2/c1-19-8-6-13(7-9-19)20-10-4-12(5-11-20)17-14-2-3-15(21)18-16(14)22/h12-14,17H,2-11H2,1H3,(H,18,21,22)
InChIKeyJWQHZULFXNNTSL-UHFFFAOYSA-N
MW308.43 g/mol
LogP-0.06
Rot. Bonds3

About 3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione

3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione (PubChem CID 166117554) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione
PubChem CID166117554
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione
SMILESCN1CCC(N2CCC(NC3CCC(=O)NC3=O)CC2)CC1
InChIInChI=1S/C16H28N4O2/c1-19-8-6-13(7-9-19)20-10-4-12(5-11-20)17-14-2-3-15(21)18-16(14)22/h12-14,17H,2-11H2,1H3,(H,18,21,22)
InChIKeyJWQHZULFXNNTSL-UHFFFAOYSA-N
XLogP-0.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione (CID 166117554) is 3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione is CN1CCC(N2CCC(NC3CCC(=O)NC3=O)CC2)CC1.
What is the InChIKey of 3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione?
The InChIKey is JWQHZULFXNNTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-19-8-6-13(7-9-19)20-10-4-12(5-11-20)17-14-2-3-15(21)18-16(14)22/h12-14,17H,2-11H2,1H3,(H,18,21,22).
What are the key properties of 3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione?
3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione has a molecular weight of 308.43 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166117554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).