1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione

C16H29NO3 — CID 23328918

IUPAC1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione
SMILESCCCCCCCCC1CC(=O)N(CCCO)C(=O)C1
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-7-9-14-12-15(19)17(10-8-11-18)16(20)13-14/h14,18H,2-13H2,1H3
InChIKeyBTMXENYBXQQHRM-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.88
Rot. Bonds10

About 1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione

1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione (PubChem CID 23328918) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione
PubChem CID23328918
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione
SMILESCCCCCCCCC1CC(=O)N(CCCO)C(=O)C1
InChIInChI=1S/C16H29NO3/c1-2-3-4-5-6-7-9-14-12-15(19)17(10-8-11-18)16(20)13-14/h14,18H,2-13H2,1H3
InChIKeyBTMXENYBXQQHRM-UHFFFAOYSA-N
XLogP2.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione?
The IUPAC name of 1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione (CID 23328918) is 1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione.
What is the SMILES notation for 1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione?
The canonical SMILES for 1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione is CCCCCCCCC1CC(=O)N(CCCO)C(=O)C1.
What is the InChIKey of 1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione?
The InChIKey is BTMXENYBXQQHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-9-14-12-15(19)17(10-8-11-18)16(20)13-14/h14,18H,2-13H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione?
1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione has a molecular weight of 283.41 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-4-octylpiperidine-2,6-dione is sourced from PubChem (CID 23328918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).