N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide

C23H26N4O2 — CID 136526016

IUPACN-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
SMILESO=C(NCC1CCN(CC(O)c2ccccc2)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C23H26N4O2/c28-22(18-6-2-1-3-7-18)16-27-12-10-17(11-13-27)14-25-23(29)21-15-24-19-8-4-5-9-20(19)26-21/h1-9,15,17,22,28H,10-14,16H2,(H,25,29)
InChIKeyIBZOLRNDJFDKHV-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.81
Rot. Bonds6

About N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide

N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide (PubChem CID 136526016) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
PubChem CID136526016
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
SMILESO=C(NCC1CCN(CC(O)c2ccccc2)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C23H26N4O2/c28-22(18-6-2-1-3-7-18)16-27-12-10-17(11-13-27)14-25-23(29)21-15-24-19-8-4-5-9-20(19)26-21/h1-9,15,17,22,28H,10-14,16H2,(H,25,29)
InChIKeyIBZOLRNDJFDKHV-UHFFFAOYSA-N
XLogP2.81
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]quinoxaline-2-carboxamide
CID 103280180
(1R)-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 124743423
(2S)-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119880550
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893
3-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119880522
2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120800182
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
4-amino-5-chloro-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 45275446
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95751286

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide (CID 136526016) is N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide is O=C(NCC1CCN(CC(O)c2ccccc2)CC1)c1cnc2ccccc2n1.
What is the InChIKey of N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide?
The InChIKey is IBZOLRNDJFDKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22(18-6-2-1-3-7-18)16-27-12-10-17(11-13-27)14-25-23(29)21-15-24-19-8-4-5-9-20(19)26-21/h1-9,15,17,22,28H,10-14,16H2,(H,25,29).
What are the key properties of N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide?
N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 136526016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).