ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate

C16H23N3O4 — CID 46260483

IUPACethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2c(N3CCCCC3)c(=O)c2=O)CC1
InChIInChI=1S/C16H23N3O4/c1-2-23-16(22)19-10-8-18(9-11-19)13-12(14(20)15(13)21)17-6-4-3-5-7-17/h2-11H2,1H3
InChIKeyLPBYWKYRJVEZLB-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.55
Rot. Bonds3

About ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate

ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate (PubChem CID 46260483) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate
PubChem CID46260483
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Nameethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2c(N3CCCCC3)c(=O)c2=O)CC1
InChIInChI=1S/C16H23N3O4/c1-2-23-16(22)19-10-8-18(9-11-19)13-12(14(20)15(13)21)17-6-4-3-5-7-17/h2-11H2,1H3
InChIKeyLPBYWKYRJVEZLB-UHFFFAOYSA-N
XLogP0.55
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate (CID 46260483) is ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2c(N3CCCCC3)c(=O)c2=O)CC1.
What is the InChIKey of ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate?
The InChIKey is LPBYWKYRJVEZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-2-23-16(22)19-10-8-18(9-11-19)13-12(14(20)15(13)21)17-6-4-3-5-7-17/h2-11H2,1H3.
What are the key properties of ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate?
ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)piperazine-1-carboxylate is sourced from PubChem (CID 46260483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).