1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

C12H17N3O5 — CID 106744401

IUPAC1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H17N3O5/c1-7-4-8(11(18)19)2-3-15(7)12(20)14-5-9(16)13-10(17)6-14/h7-8H,2-6H2,1H3,(H,18,19)(H,13,16,17)
InChIKeyYFVXCCDUDBPRPW-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.75
Rot. Bonds1

About 1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744401) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106744401
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H17N3O5/c1-7-4-8(11(18)19)2-3-15(7)12(20)14-5-9(16)13-10(17)6-14/h7-8H,2-6H2,1H3,(H,18,19)(H,13,16,17)
InChIKeyYFVXCCDUDBPRPW-UHFFFAOYSA-N
XLogP-0.75
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744342
1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106743942
1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 66062800
1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744628
1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744619
1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 66084548
2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid
CID 66063776
1-(2,2-difluoroacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742109
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106191895
2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid
CID 106742046
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949
1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744572

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106744401) is 1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is YFVXCCDUDBPRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-7-4-8(11(18)19)2-3-15(7)12(20)14-5-9(16)13-10(17)6-14/h7-8H,2-6H2,1H3,(H,18,19)(H,13,16,17).
What are the key properties of 1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).