N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide

C9H18N4O2 — CID 63103311

IUPACN-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)N(C)CC(N)=O)CN1
InChIInChI=1S/C9H18N4O2/c1-6-3-12-7(4-11-6)9(15)13(2)5-8(10)14/h6-7,11-12H,3-5H2,1-2H3,(H2,10,14)
InChIKeyDJZUFYXYFQMPFX-UHFFFAOYSA-N
MW214.27 g/mol
LogP-2.12
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide

N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide (PubChem CID 63103311) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide
PubChem CID63103311
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC NameN-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)N(C)CC(N)=O)CN1
InChIInChI=1S/C9H18N4O2/c1-6-3-12-7(4-11-6)9(15)13(2)5-8(10)14/h6-7,11-12H,3-5H2,1-2H3,(H2,10,14)
InChIKeyDJZUFYXYFQMPFX-UHFFFAOYSA-N
XLogP-2.12
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide (CID 63103311) is N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide is CC1CNC(C(=O)N(C)CC(N)=O)CN1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide?
The InChIKey is DJZUFYXYFQMPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-6-3-12-7(4-11-6)9(15)13(2)5-8(10)14/h6-7,11-12H,3-5H2,1-2H3,(H2,10,14).
What are the key properties of N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide?
N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide has a molecular weight of 214.27 g/mol, XLogP of -2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 63103311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).