4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide

C8H15N3O2 — CID 21254676

IUPAC4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC=O)CC1
InChIInChI=1S/C8H15N3O2/c1-10-3-5-11(6-4-10)8(13)9-2-7-12/h7H,2-6H2,1H3,(H,9,13)
InChIKeyCGFCCGDAPGIVCY-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.86
Rot. Bonds2

About 4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide

4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide (PubChem CID 21254676) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide
PubChem CID21254676
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC=O)CC1
InChIInChI=1S/C8H15N3O2/c1-10-3-5-11(6-4-10)8(13)9-2-7-12/h7H,2-6H2,1H3,(H,9,13)
InChIKeyCGFCCGDAPGIVCY-UHFFFAOYSA-N
XLogP-0.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide (CID 21254676) is 4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide is CN1CCN(C(=O)NCC=O)CC1.
What is the InChIKey of 4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide?
The InChIKey is CGFCCGDAPGIVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-10-3-5-11(6-4-10)8(13)9-2-7-12/h7H,2-6H2,1H3,(H,9,13).
What are the key properties of 4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide?
4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxoethyl)piperazine-1-carboxamide is sourced from PubChem (CID 21254676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).