ethane;4-methyl-3-oxopiperazine-1-carboxamide

C8H17N3O2 — CID 143722944

IUPACethane;4-methyl-3-oxopiperazine-1-carboxamide
SMILESCC.CN1CCN(C(N)=O)CC1=O
InChIInChI=1S/C6H11N3O2.C2H6/c1-8-2-3-9(6(7)11)4-5(8)10;1-2/h2-4H2,1H3,(H2,7,11);1-2H3
InChIKeyZEHBTLWELQEERR-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.13
Rot. Bonds

About ethane;4-methyl-3-oxopiperazine-1-carboxamide

ethane;4-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 143722944) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethane;4-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Nameethane;4-methyl-3-oxopiperazine-1-carboxamide
PubChem CID143722944
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Nameethane;4-methyl-3-oxopiperazine-1-carboxamide
SMILESCC.CN1CCN(C(N)=O)CC1=O
InChIInChI=1S/C6H11N3O2.C2H6/c1-8-2-3-9(6(7)11)4-5(8)10;1-2/h2-4H2,1H3,(H2,7,11);1-2H3
InChIKeyZEHBTLWELQEERR-UHFFFAOYSA-N
XLogP-0.13
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of ethane;4-methyl-3-oxopiperazine-1-carboxamide (CID 143722944) is ethane;4-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for ethane;4-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for ethane;4-methyl-3-oxopiperazine-1-carboxamide is CC.CN1CCN(C(N)=O)CC1=O.
What is the InChIKey of ethane;4-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is ZEHBTLWELQEERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2.C2H6/c1-8-2-3-9(6(7)11)4-5(8)10;1-2/h2-4H2,1H3,(H2,7,11);1-2H3.
What are the key properties of ethane;4-methyl-3-oxopiperazine-1-carboxamide?
ethane;4-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 143722944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).