2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile

C14H21N3O3 — CID 66074464

IUPAC2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C14H21N3O3/c1-4-6-14(9-15,7-5-2)13(20)17-8-11(18)16-12(19)10(17)3/h10H,4-8H2,1-3H3,(H,16,18,19)
InChIKeyFWZPPHJPAXPZGW-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.97
Rot. Bonds5

About 2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile

2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile (PubChem CID 66074464) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile.

Molecular Properties

Compound Name2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile
PubChem CID66074464
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CC(=O)NC(=O)C1C
InChIInChI=1S/C14H21N3O3/c1-4-6-14(9-15,7-5-2)13(20)17-8-11(18)16-12(19)10(17)3/h10H,4-8H2,1-3H3,(H,16,18,19)
InChIKeyFWZPPHJPAXPZGW-UHFFFAOYSA-N
XLogP0.97
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile?
The IUPAC name of 2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile (CID 66074464) is 2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile.
What is the SMILES notation for 2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile?
The canonical SMILES for 2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile is CCCC(C#N)(CCC)C(=O)N1CC(=O)NC(=O)C1C.
What is the InChIKey of 2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile?
The InChIKey is FWZPPHJPAXPZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-6-14(9-15,7-5-2)13(20)17-8-11(18)16-12(19)10(17)3/h10H,4-8H2,1-3H3,(H,16,18,19).
What are the key properties of 2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile?
2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile has a molecular weight of 279.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile is sourced from PubChem (CID 66074464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).