4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide

C23H32N4O2 — CID 59451310

IUPAC4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCNC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C23H32N4O2/c1-24-22(28)21-23(29)27(20-12-8-7-11-19(20)25-21)18-13-15-26(16-14-18)17-9-5-3-2-4-6-10-17/h7-8,11-12,17-18H,2-6,9-10,13-16H2,1H3,(H,24,28)
InChIKeyPSKKMAGNZPEVKZ-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.51
Rot. Bonds3

About 4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide

4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 59451310) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound Name4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID59451310
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCNC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C23H32N4O2/c1-24-22(28)21-23(29)27(20-12-8-7-11-19(20)25-21)18-13-15-26(16-14-18)17-9-5-3-2-4-6-10-17/h7-8,11-12,17-18H,2-6,9-10,13-16H2,1H3,(H,24,28)
InChIKeyPSKKMAGNZPEVKZ-UHFFFAOYSA-N
XLogP3.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of 4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide (CID 59451310) is 4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for 4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for 4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide is CNC(=O)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O.
What is the InChIKey of 4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is PSKKMAGNZPEVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-24-22(28)21-23(29)27(20-12-8-7-11-19(20)25-21)18-13-15-26(16-14-18)17-9-5-3-2-4-6-10-17/h7-8,11-12,17-18H,2-6,9-10,13-16H2,1H3,(H,24,28).
What are the key properties of 4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide?
4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclooctylpiperidin-4-yl)-N-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 59451310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).