N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide

C17H22N4O2 — CID 120891616

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
SMILESCOCC1(CNC(=O)c2cnc3ccccc3n2)CCNCC1
InChIInChI=1S/C17H22N4O2/c1-23-12-17(6-8-18-9-7-17)11-20-16(22)15-10-19-13-4-2-3-5-14(13)21-15/h2-5,10,18H,6-9,11-12H2,1H3,(H,20,22)
InChIKeyXMQVFFZRHYWHAI-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.38
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide (PubChem CID 120891616) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
PubChem CID120891616
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
SMILESCOCC1(CNC(=O)c2cnc3ccccc3n2)CCNCC1
InChIInChI=1S/C17H22N4O2/c1-23-12-17(6-8-18-9-7-17)11-20-16(22)15-10-19-13-4-2-3-5-14(13)21-15/h2-5,10,18H,6-9,11-12H2,1H3,(H,20,22)
InChIKeyXMQVFFZRHYWHAI-UHFFFAOYSA-N
XLogP1.38
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 120891409
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120892003
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 120890524
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120890519
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120887142
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120887412
2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888588

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide (CID 120891616) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide is COCC1(CNC(=O)c2cnc3ccccc3n2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide?
The InChIKey is XMQVFFZRHYWHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-12-17(6-8-18-9-7-17)11-20-16(22)15-10-19-13-4-2-3-5-14(13)21-15/h2-5,10,18H,6-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 120891616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).