1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione

C16H24N2O2 — CID 125484766

IUPAC1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione
SMILESC[C@@H]1CCC[C@@H](C)N1CC#CCCN1C(=O)CCC1=O
InChIInChI=1S/C16H24N2O2/c1-13-7-6-8-14(2)17(13)11-4-3-5-12-18-15(19)9-10-16(18)20/h13-14H,5-12H2,1-2H3/t13-,14-/m1/s1
InChIKeySWHOJXMDDCWRAA-ZIAGYGMSSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds3

About 1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione

1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione (PubChem CID 125484766) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione
PubChem CID125484766
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione
SMILESC[C@@H]1CCC[C@@H](C)N1CC#CCCN1C(=O)CCC1=O
InChIInChI=1S/C16H24N2O2/c1-13-7-6-8-14(2)17(13)11-4-3-5-12-18-15(19)9-10-16(18)20/h13-14H,5-12H2,1-2H3/t13-,14-/m1/s1
InChIKeySWHOJXMDDCWRAA-ZIAGYGMSSA-N
XLogP1.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione (CID 125484766) is 1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione is C[C@@H]1CCC[C@@H](C)N1CC#CCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione?
The InChIKey is SWHOJXMDDCWRAA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-7-6-8-14(2)17(13)11-4-3-5-12-18-15(19)9-10-16(18)20/h13-14H,5-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione?
1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione has a molecular weight of 276.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]pent-3-ynyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 125484766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).