2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide

C13H22N2O3 — CID 44573733

IUPAC2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C13H22N2O3/c1-2-3-4-5-6-14-11(16)7-10-8-12(17)15-13(18)9-10/h10H,2-9H2,1H3,(H,14,16)(H,15,17,18)
InChIKeySPHNPTPRCUOSSL-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.13
Rot. Bonds7

About 2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide

2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide (PubChem CID 44573733) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide
PubChem CID44573733
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C13H22N2O3/c1-2-3-4-5-6-14-11(16)7-10-8-12(17)15-13(18)9-10/h10H,2-9H2,1H3,(H,14,16)(H,15,17,18)
InChIKeySPHNPTPRCUOSSL-UHFFFAOYSA-N
XLogP1.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
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 2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide?
The IUPAC name of 2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide (CID 44573733) is 2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide is CCCCCCNC(=O)CC1CC(=O)NC(=O)C1.
What is the InChIKey of 2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide?
The InChIKey is SPHNPTPRCUOSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-3-4-5-6-14-11(16)7-10-8-12(17)15-13(18)9-10/h10H,2-9H2,1H3,(H,14,16)(H,15,17,18).
What are the key properties of 2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide?
2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide has a molecular weight of 254.33 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-4-yl)-N-hexylacetamide is sourced from PubChem (CID 44573733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).