3-(cyclooctylmethylamino)piperidine-2,6-dione

C14H24N2O2 — CID 114207756

IUPAC3-(cyclooctylmethylamino)piperidine-2,6-dione
SMILESO=C1CCC(NCC2CCCCCCC2)C(=O)N1
InChIInChI=1S/C14H24N2O2/c17-13-9-8-12(14(18)16-13)15-10-11-6-4-2-1-3-5-7-11/h11-12,15H,1-10H2,(H,16,17,18)
InChIKeyYEVKRACNBKITGM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.74
Rot. Bonds3

About 3-(cyclooctylmethylamino)piperidine-2,6-dione

3-(cyclooctylmethylamino)piperidine-2,6-dione (PubChem CID 114207756) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(cyclooctylmethylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(cyclooctylmethylamino)piperidine-2,6-dione
PubChem CID114207756
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(cyclooctylmethylamino)piperidine-2,6-dione
SMILESO=C1CCC(NCC2CCCCCCC2)C(=O)N1
InChIInChI=1S/C14H24N2O2/c17-13-9-8-12(14(18)16-13)15-10-11-6-4-2-1-3-5-7-11/h11-12,15H,1-10H2,(H,16,17,18)
InChIKeyYEVKRACNBKITGM-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(cyclooctylmethylamino)piperidine-2,6-dione?
The IUPAC name of 3-(cyclooctylmethylamino)piperidine-2,6-dione (CID 114207756) is 3-(cyclooctylmethylamino)piperidine-2,6-dione.
What is the SMILES notation for 3-(cyclooctylmethylamino)piperidine-2,6-dione?
The canonical SMILES for 3-(cyclooctylmethylamino)piperidine-2,6-dione is O=C1CCC(NCC2CCCCCCC2)C(=O)N1.
What is the InChIKey of 3-(cyclooctylmethylamino)piperidine-2,6-dione?
The InChIKey is YEVKRACNBKITGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-13-9-8-12(14(18)16-13)15-10-11-6-4-2-1-3-5-7-11/h11-12,15H,1-10H2,(H,16,17,18).
What are the key properties of 3-(cyclooctylmethylamino)piperidine-2,6-dione?
3-(cyclooctylmethylamino)piperidine-2,6-dione has a molecular weight of 252.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctylmethylamino)piperidine-2,6-dione is sourced from PubChem (CID 114207756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).