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

C11H18N4O2 — CID 107435329

IUPACN-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H18N4O2/c1-3-15(7-8(2)4-12)11(17)9-5-14-10(16)6-13-9/h8-9,13H,3,5-7H2,1-2H3,(H,14,16)
InChIKeyOTFDWBLMPMJZAN-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.92
Rot. Bonds4

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

N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide (PubChem CID 107435329) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide
PubChem CID107435329
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H18N4O2/c1-3-15(7-8(2)4-12)11(17)9-5-14-10(16)6-13-9/h8-9,13H,3,5-7H2,1-2H3,(H,14,16)
InChIKeyOTFDWBLMPMJZAN-UHFFFAOYSA-N
XLogP-0.92
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
CID 107437031
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107436420
N-(2-cyanopropyl)-N-ethyl-4-methoxypyrrolidine-2-carboxamide
CID 61213070
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
N-[(2-cyanophenyl)methyl]-N-ethyl-5-oxopiperazine-2-carboxamide
CID 107435356
5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
CID 107433786
N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
CID 51092606
N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78983268
5-oxo-N-prop-2-enyl-N-propylpiperazine-2-carboxamide
CID 107437361
N-(2-cyanopropyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901300
N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107437656

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide (CID 107435329) is N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide is CCN(CC(C)C#N)C(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide?
The InChIKey is OTFDWBLMPMJZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-15(7-8(2)4-12)11(17)9-5-14-10(16)6-13-9/h8-9,13H,3,5-7H2,1-2H3,(H,14,16).
What are the key properties of N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide?
N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).