N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide

C13H22N2O3 — CID 11107895

IUPACN-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C13H22N2O3/c1-3-5-9(6-4-2)12(17)14-10-7-8-11(16)15-13(10)18/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,16,18)/t10-/m0/s1
InChIKeyJYEQUNYQDYYABQ-JTQLQIEISA-N
MW254.33 g/mol
LogP1.12
Rot. Bonds6

About N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide

N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide (PubChem CID 11107895) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide
PubChem CID11107895
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N[C@H]1CCC(=O)NC1=O
InChIInChI=1S/C13H22N2O3/c1-3-5-9(6-4-2)12(17)14-10-7-8-11(16)15-13(10)18/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,16,18)/t10-/m0/s1
InChIKeyJYEQUNYQDYYABQ-JTQLQIEISA-N
XLogP1.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.12
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 N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide?
The IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide (CID 11107895) is N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide.
What is the SMILES notation for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide?
The canonical SMILES for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide is CCCC(CCC)C(=O)N[C@H]1CCC(=O)NC1=O.
What is the InChIKey of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide?
The InChIKey is JYEQUNYQDYYABQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-5-9(6-4-2)12(17)14-10-7-8-11(16)15-13(10)18/h9-10H,3-8H2,1-2H3,(H,14,17)(H,15,16,18)/t10-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide?
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide has a molecular weight of 254.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide is sourced from PubChem (CID 11107895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).