N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide

C21H22N4O2 — CID 131913221

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3ccc4nccnc4c3)cc2)CC1
InChIInChI=1S/C21H22N4O2/c1-25-12-8-18(9-13-25)27-17-5-3-16(4-6-17)24-21(26)15-2-7-19-20(14-15)23-11-10-22-19/h2-7,10-11,14,18H,8-9,12-13H2,1H3,(H,24,26)
InChIKeyWXQNURZXONACFV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.36
Rot. Bonds4

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide (PubChem CID 131913221) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
PubChem CID131913221
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3ccc4nccnc4c3)cc2)CC1
InChIInChI=1S/C21H22N4O2/c1-25-12-8-18(9-13-25)27-17-5-3-16(4-6-17)24-21(26)15-2-7-19-20(14-15)23-11-10-22-19/h2-7,10-11,14,18H,8-9,12-13H2,1H3,(H,24,26)
InChIKeyWXQNURZXONACFV-UHFFFAOYSA-N
XLogP3.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide (CID 131913221) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide is CN1CCC(Oc2ccc(NC(=O)c3ccc4nccnc4c3)cc2)CC1.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide?
The InChIKey is WXQNURZXONACFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25-12-8-18(9-13-25)27-17-5-3-16(4-6-17)24-21(26)15-2-7-19-20(14-15)23-11-10-22-19/h2-7,10-11,14,18H,8-9,12-13H2,1H3,(H,24,26).
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 131913221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).