3-hexyl-1-methoxypiperidine-2,6-dione

C12H21NO3 — CID 59172801

IUPAC3-hexyl-1-methoxypiperidine-2,6-dione
SMILESCCCCCCC1CCC(=O)N(OC)C1=O
InChIInChI=1S/C12H21NO3/c1-3-4-5-6-7-10-8-9-11(14)13(16-2)12(10)15/h10H,3-9H2,1-2H3
InChIKeyBTLGMLYOIWBPIT-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.28
Rot. Bonds6

About 3-hexyl-1-methoxypiperidine-2,6-dione

3-hexyl-1-methoxypiperidine-2,6-dione (PubChem CID 59172801) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-hexyl-1-methoxypiperidine-2,6-dione.

Molecular Properties

Compound Name3-hexyl-1-methoxypiperidine-2,6-dione
PubChem CID59172801
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-hexyl-1-methoxypiperidine-2,6-dione
SMILESCCCCCCC1CCC(=O)N(OC)C1=O
InChIInChI=1S/C12H21NO3/c1-3-4-5-6-7-10-8-9-11(14)13(16-2)12(10)15/h10H,3-9H2,1-2H3
InChIKeyBTLGMLYOIWBPIT-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
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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Related Compounds

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CID 175348950
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CID 12823821
2-pentadecylcyclopropan-1-one
CID 70874004
3-dodecyloxetan-2-one
CID 165020567
2-nonylcyclododecan-1-one
CID 14296722
(2R)-2-pentylcyclohexan-1-one
CID 86310435
(2-hexylcyclobutylidene)methanedithiol
CID 88818630
2-decyl-4-methylcyclohexan-1-one
CID 55185770
6-heptylcyclohex-2-en-1-one
CID 19005489
3-decyl-2-ethylideneoxolane
CID 174682271
4-decylcyclohexan-1-one
CID 13479948

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-1-methoxypiperidine-2,6-dione?
The IUPAC name of 3-hexyl-1-methoxypiperidine-2,6-dione (CID 59172801) is 3-hexyl-1-methoxypiperidine-2,6-dione.
What is the SMILES notation for 3-hexyl-1-methoxypiperidine-2,6-dione?
The canonical SMILES for 3-hexyl-1-methoxypiperidine-2,6-dione is CCCCCCC1CCC(=O)N(OC)C1=O.
What is the InChIKey of 3-hexyl-1-methoxypiperidine-2,6-dione?
The InChIKey is BTLGMLYOIWBPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-4-5-6-7-10-8-9-11(14)13(16-2)12(10)15/h10H,3-9H2,1-2H3.
What are the key properties of 3-hexyl-1-methoxypiperidine-2,6-dione?
3-hexyl-1-methoxypiperidine-2,6-dione has a molecular weight of 227.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-1-methoxypiperidine-2,6-dione is sourced from PubChem (CID 59172801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).