N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide

C9H10ClN3O3 — CID 141040822

IUPACN-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide
SMILESO=C1CN(C(=O)Nc2ccc(Cl)o2)CCN1
InChIInChI=1S/C9H10ClN3O3/c10-6-1-2-8(16-6)12-9(15)13-4-3-11-7(14)5-13/h1-2H,3-5H2,(H,11,14)(H,12,15)
InChIKeyOLWJBXBKZQAWED-UHFFFAOYSA-N
MW243.65 g/mol
LogP0.90
Rot. Bonds1

About N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide

N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 141040822) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide
PubChem CID141040822
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC NameN-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide
SMILESO=C1CN(C(=O)Nc2ccc(Cl)o2)CCN1
InChIInChI=1S/C9H10ClN3O3/c10-6-1-2-8(16-6)12-9(15)13-4-3-11-7(14)5-13/h1-2H,3-5H2,(H,11,14)(H,12,15)
InChIKeyOLWJBXBKZQAWED-UHFFFAOYSA-N
XLogP0.90
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide (CID 141040822) is N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide is O=C1CN(C(=O)Nc2ccc(Cl)o2)CCN1.
What is the InChIKey of N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is OLWJBXBKZQAWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c10-6-1-2-8(16-6)12-9(15)13-4-3-11-7(14)5-13/h1-2H,3-5H2,(H,11,14)(H,12,15).
What are the key properties of N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide?
N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 243.65 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorofuran-2-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 141040822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).