1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione

C20H28N4O2 — CID 25128943

IUPAC1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ncccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C20H28N4O2/c25-19-20(26)24(17-9-6-12-21-18(17)22-19)16-10-13-23(14-11-16)15-7-4-2-1-3-5-8-15/h6,9,12,15-16H,1-5,7-8,10-11,13-14H2,(H,21,22,25)
InChIKeyCIMVAXZTJNDDRS-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.83
Rot. Bonds2

About 1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione

1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 25128943) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID25128943
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ncccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C20H28N4O2/c25-19-20(26)24(17-9-6-12-21-18(17)22-19)16-10-13-23(14-11-16)15-7-4-2-1-3-5-8-15/h6,9,12,15-16H,1-5,7-8,10-11,13-14H2,(H,21,22,25)
InChIKeyCIMVAXZTJNDDRS-UHFFFAOYSA-N
XLogP2.83
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione 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-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
Pyrido(2,3-b)pyrazine-2,3-diol
CID 74947
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
8-Methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 21625982
N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5056435
N-[1-(4-cyclopropylphenyl)propyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 89880131
N-[1-[4-(azetidin-1-yl)phenyl]propyl]-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 89880132
2-oxo-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 117949270
N-(3,4-difluorophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 727072
N-(3-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 759035
1-Piperazinepropanamide, N-(4-aminophenyl)-4-(2-pyridinyl)-
CID 3070500

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione (CID 25128943) is 1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2ncccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O.
What is the InChIKey of 1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is CIMVAXZTJNDDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-19-20(26)24(17-9-6-12-21-18(17)22-19)16-10-13-23(14-11-16)15-7-4-2-1-3-5-8-15/h6,9,12,15-16H,1-5,7-8,10-11,13-14H2,(H,21,22,25).
What are the key properties of 1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione?
1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 356.47 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclooctylpiperidin-4-yl)-4H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 25128943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).