1-undecylpiperidine-2,6-dione

C16H29NO2 — CID 91705281

IUPAC1-undecylpiperidine-2,6-dione
SMILESCCCCCCCCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C16H29NO2/c1-2-3-4-5-6-7-8-9-10-14-17-15(18)12-11-13-16(17)19/h2-14H2,1H3
InChIKeyLGNIQFKWLWDTAL-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.06
Rot. Bonds10

About 1-undecylpiperidine-2,6-dione

1-undecylpiperidine-2,6-dione (PubChem CID 91705281) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-undecylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-undecylpiperidine-2,6-dione
PubChem CID91705281
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-undecylpiperidine-2,6-dione
SMILESCCCCCCCCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C16H29NO2/c1-2-3-4-5-6-7-8-9-10-14-17-15(18)12-11-13-16(17)19/h2-14H2,1H3
InChIKeyLGNIQFKWLWDTAL-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 70621864
1-pentylazetidine-2,4-dione
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1-dodecyl-5-sulfanylidenepyrrolidin-2-one
CID 86249937
1-(10-dodecan-3-ylsulfanyldecyl)azepane-2,7-dione
CID 21260045
1-(4-aminobutyl)piperidine-2,6-dione
CID 43447549
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-hexyl-7-iodo-4,5-dihydro-3H-1-benzazepin-2-one
CID 79787898
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
CID 56837638
4-butylmorpholine-3,5-dione
CID 13156567
1-(4-iodobutyl)azepane-2,7-dione
CID 139913177

Frequently Asked Questions

What is the IUPAC name of 1-undecylpiperidine-2,6-dione?
The IUPAC name of 1-undecylpiperidine-2,6-dione (CID 91705281) is 1-undecylpiperidine-2,6-dione.
What is the SMILES notation for 1-undecylpiperidine-2,6-dione?
The canonical SMILES for 1-undecylpiperidine-2,6-dione is CCCCCCCCCCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-undecylpiperidine-2,6-dione?
The InChIKey is LGNIQFKWLWDTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-3-4-5-6-7-8-9-10-14-17-15(18)12-11-13-16(17)19/h2-14H2,1H3.
What are the key properties of 1-undecylpiperidine-2,6-dione?
1-undecylpiperidine-2,6-dione has a molecular weight of 267.41 g/mol, XLogP of 4.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecylpiperidine-2,6-dione is sourced from PubChem (CID 91705281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).