N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide

C23H26N4O — CID 55718070

IUPACN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C23H26N4O/c1-17-8-6-7-13-27(17)16-19-10-3-2-9-18(19)14-25-23(28)22-15-24-20-11-4-5-12-21(20)26-22/h2-5,9-12,15,17H,6-8,13-14,16H2,1H3,(H,25,28)
InChIKeyWUFFGERGFBEXSY-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.93
Rot. Bonds5

About N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide (PubChem CID 55718070) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
PubChem CID55718070
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C23H26N4O/c1-17-8-6-7-13-27(17)16-19-10-3-2-9-18(19)14-25-23(28)22-15-24-20-11-4-5-12-21(20)26-22/h2-5,9-12,15,17H,6-8,13-14,16H2,1H3,(H,25,28)
InChIKeyWUFFGERGFBEXSY-UHFFFAOYSA-N
XLogP3.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate
CID 78875789
5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78875791
1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 126771493
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 46478370
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 51983604
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylprop-2-enamide
CID 103598117
2-methyl-3-(methylamino)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845340

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide (CID 55718070) is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide is CC1CCCCN1Cc1ccccc1CNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide?
The InChIKey is WUFFGERGFBEXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-8-6-7-13-27(17)16-19-10-3-2-9-18(19)14-25-23(28)22-15-24-20-11-4-5-12-21(20)26-22/h2-5,9-12,15,17H,6-8,13-14,16H2,1H3,(H,25,28).
What are the key properties of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide?
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 55718070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).