4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione

C16H26N2O4 — CID 54443808

IUPAC4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione
SMILESCCCCC(=O)N1CC(=O)C(C(CCC)=NOCC)C(=O)C1
InChIInChI=1S/C16H26N2O4/c1-4-7-9-15(21)18-10-13(19)16(14(20)11-18)12(8-5-2)17-22-6-3/h16H,4-11H2,1-3H3
InChIKeyWQAQWMXQEKBLHO-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.97
Rot. Bonds8

About 4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione

4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione (PubChem CID 54443808) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione.

Molecular Properties

Compound Name4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione
PubChem CID54443808
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione
SMILESCCCCC(=O)N1CC(=O)C(C(CCC)=NOCC)C(=O)C1
InChIInChI=1S/C16H26N2O4/c1-4-7-9-15(21)18-10-13(19)16(14(20)11-18)12(8-5-2)17-22-6-3/h16H,4-11H2,1-3H3
InChIKeyWQAQWMXQEKBLHO-UHFFFAOYSA-N
XLogP1.97
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione?
The IUPAC name of 4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione (CID 54443808) is 4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione.
What is the SMILES notation for 4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione?
The canonical SMILES for 4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione is CCCCC(=O)N1CC(=O)C(C(CCC)=NOCC)C(=O)C1.
What is the InChIKey of 4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione?
The InChIKey is WQAQWMXQEKBLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-4-7-9-15(21)18-10-13(19)16(14(20)11-18)12(8-5-2)17-22-6-3/h16H,4-11H2,1-3H3.
What are the key properties of 4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione?
4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione has a molecular weight of 310.39 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethoxy-C-propylcarbonimidoyl)-1-pentanoylpiperidine-3,5-dione is sourced from PubChem (CID 54443808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).