N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide

C23H32N4O2 — CID 59451017

IUPACN-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C23H32N4O2/c1-17(28)24-22-23(29)27(21-12-8-7-11-20(21)25-22)19-13-15-26(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-16H2,1H3,(H,24,25,28)
InChIKeyVJQOPMPEYJMRSB-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.10
Rot. Bonds3

About N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide

N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide (PubChem CID 59451017) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide
PubChem CID59451017
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O
InChIInChI=1S/C23H32N4O2/c1-17(28)24-22-23(29)27(21-12-8-7-11-20(21)25-22)19-13-15-26(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-16H2,1H3,(H,24,25,28)
InChIKeyVJQOPMPEYJMRSB-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide?
The IUPAC name of N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide (CID 59451017) is N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide?
The canonical SMILES for N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide is CC(=O)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O.
What is the InChIKey of N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide?
The InChIKey is VJQOPMPEYJMRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17(28)24-22-23(29)27(21-12-8-7-11-20(21)25-22)19-13-15-26(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,18-19H,2-6,9-10,13-16H2,1H3,(H,24,25,28).
What are the key properties of N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide?
N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]acetamide is sourced from PubChem (CID 59451017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).