N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide

C15H28N4O2 — CID 123637716

IUPACN-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide
SMILESC=C1C(=O)NCC(CC(=O)NC(C)CN(CC)CC)N1C
InChIInChI=1S/C15H28N4O2/c1-6-19(7-2)10-11(3)17-14(20)8-13-9-16-15(21)12(4)18(13)5/h11,13H,4,6-10H2,1-3,5H3,(H,16,21)(H,17,20)
InChIKeyJIJMREXWZAVRNG-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.17
Rot. Bonds7

About N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide

N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide (PubChem CID 123637716) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide
PubChem CID123637716
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide
SMILESC=C1C(=O)NCC(CC(=O)NC(C)CN(CC)CC)N1C
InChIInChI=1S/C15H28N4O2/c1-6-19(7-2)10-11(3)17-14(20)8-13-9-16-15(21)12(4)18(13)5/h11,13H,4,6-10H2,1-3,5H3,(H,16,21)(H,17,20)
InChIKeyJIJMREXWZAVRNG-UHFFFAOYSA-N
XLogP0.17
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide (CID 123637716) is N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide is C=C1C(=O)NCC(CC(=O)NC(C)CN(CC)CC)N1C.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide?
The InChIKey is JIJMREXWZAVRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-6-19(7-2)10-11(3)17-14(20)8-13-9-16-15(21)12(4)18(13)5/h11,13H,4,6-10H2,1-3,5H3,(H,16,21)(H,17,20).
What are the key properties of N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide?
N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide has a molecular weight of 296.42 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 123637716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).