4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one

C17H26N6O2 — CID 138387188

IUPAC4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one
SMILESCCN1CCNC(=O)C1CC(=O)N1CCCN(c2cnccn2)CC1
InChIInChI=1S/C17H26N6O2/c1-2-21-9-6-20-17(25)14(21)12-16(24)23-8-3-7-22(10-11-23)15-13-18-4-5-19-15/h4-5,13-14H,2-3,6-12H2,1H3,(H,20,25)
InChIKeyLEQWGKQGCKWGCL-UHFFFAOYSA-N
MW346.44 g/mol
LogP-0.27
Rot. Bonds4

About 4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one

4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one (PubChem CID 138387188) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one
PubChem CID138387188
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one
SMILESCCN1CCNC(=O)C1CC(=O)N1CCCN(c2cnccn2)CC1
InChIInChI=1S/C17H26N6O2/c1-2-21-9-6-20-17(25)14(21)12-16(24)23-8-3-7-22(10-11-23)15-13-18-4-5-19-15/h4-5,13-14H,2-3,6-12H2,1H3,(H,20,25)
InChIKeyLEQWGKQGCKWGCL-UHFFFAOYSA-N
XLogP-0.27
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one 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

1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529
(3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95728262
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
(3S)-4-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 25487210
2-(2-methoxyphenyl)-1-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanone
CID 138385444
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
[4-(2-methylpropyl)phenyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 138378659
3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119854129
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 45224864
4-ethyl-3-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 118786306

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one (CID 138387188) is 4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one is CCN1CCNC(=O)C1CC(=O)N1CCCN(c2cnccn2)CC1.
What is the InChIKey of 4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one?
The InChIKey is LEQWGKQGCKWGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-2-21-9-6-20-17(25)14(21)12-16(24)23-8-3-7-22(10-11-23)15-13-18-4-5-19-15/h4-5,13-14H,2-3,6-12H2,1H3,(H,20,25).
What are the key properties of 4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one?
4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one has a molecular weight of 346.44 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 138387188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).