4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione

C9H13N3O3 — CID 66083231

IUPAC4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)CNC2CC2)CC(=O)N1
InChIInChI=1S/C9H13N3O3/c13-7-4-12(5-8(14)11-7)9(15)3-10-6-1-2-6/h6,10H,1-5H2,(H,11,13,14)
InChIKeyHHPFDIYHHQUIDX-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.78
Rot. Bonds3

About 4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione

4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione (PubChem CID 66083231) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione
PubChem CID66083231
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)CNC2CC2)CC(=O)N1
InChIInChI=1S/C9H13N3O3/c13-7-4-12(5-8(14)11-7)9(15)3-10-6-1-2-6/h6,10H,1-5H2,(H,11,13,14)
InChIKeyHHPFDIYHHQUIDX-UHFFFAOYSA-N
XLogP-1.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.78
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

4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one
CID 65366267
4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-2,6-dione
CID 79261626
4-(2-anilinoacetyl)piperazine-2,6-dione
CID 66084598
4-[2-(cyclopentylamino)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067412
(2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962109
4-(3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66083698
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615447
2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone
CID 66548667
4-(5-chloropentanoyl)piperazine-2,6-dione
CID 66085850
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671657

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione (CID 66083231) is 4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione is O=C1CN(C(=O)CNC2CC2)CC(=O)N1.
What is the InChIKey of 4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione?
The InChIKey is HHPFDIYHHQUIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-7-4-12(5-8(14)11-7)9(15)3-10-6-1-2-6/h6,10H,1-5H2,(H,11,13,14).
What are the key properties of 4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione?
4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione has a molecular weight of 211.22 g/mol, XLogP of -1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylamino)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 66083231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).