2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid

C12H17N3O5 — CID 66063776

IUPAC2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H17N3O5/c16-9-6-14(7-10(17)13-9)12(20)15-4-2-1-3-8(15)5-11(18)19/h8H,1-7H2,(H,18,19)(H,13,16,17)
InChIKeyZNURFAYMJKNTKE-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.61
Rot. Bonds2

About 2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid

2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 66063776) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid
PubChem CID66063776
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C12H17N3O5/c16-9-6-14(7-10(17)13-9)12(20)15-4-2-1-3-8(15)5-11(18)19/h8H,1-7H2,(H,18,19)(H,13,16,17)
InChIKeyZNURFAYMJKNTKE-UHFFFAOYSA-N
XLogP-0.61
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.61
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

2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61182335
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61190975
1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 66062800
2-[1-(5-oxopyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 83192498
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184
2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370369
2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61403064
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 114538816
2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid
CID 79930590
2-[1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61369998
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid (CID 66063776) is 2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is ZNURFAYMJKNTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-9-6-14(7-10(17)13-9)12(20)15-4-2-1-3-8(15)5-11(18)19/h8H,1-7H2,(H,18,19)(H,13,16,17).
What are the key properties of 2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 283.28 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 66063776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).