N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide

C12H23N3O2 — CID 107437031

IUPACN-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
SMILESCCC(C)CN(CC)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H23N3O2/c1-4-9(3)8-15(5-2)12(17)10-6-14-11(16)7-13-10/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyVVPGCRXNSUUCOM-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.03
Rot. Bonds5

About N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide

N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107437031) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
PubChem CID107437031
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
SMILESCCC(C)CN(CC)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H23N3O2/c1-4-9(3)8-15(5-2)12(17)10-6-14-11(16)7-13-10/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyVVPGCRXNSUUCOM-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide
CID 107435329
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107436420
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide
CID 79470493
5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
CID 107433786
(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 103797895
5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide
CID 107437361
N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107437656
N-hexyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435333
5-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 107435225
N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide
CID 107435356

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide (CID 107437031) is N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide is CCC(C)CN(CC)C(=O)C1CNC(=O)CN1.
What is the InChIKey of N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is VVPGCRXNSUUCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-9(3)8-15(5-2)12(17)10-6-14-11(16)7-13-10/h9-10,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide?
N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).