N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide

C16H19N5O2 — CID 46589381

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H19N5O2/c17-15(22)10-21-7-5-11(6-8-21)19-16(23)14-9-18-12-3-1-2-4-13(12)20-14/h1-4,9,11H,5-8,10H2,(H2,17,22)(H,19,23)
InChIKeyQAFMMXKCJJXPNX-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.31
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide (PubChem CID 46589381) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide
PubChem CID46589381
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H19N5O2/c17-15(22)10-21-7-5-11(6-8-21)19-16(23)14-9-18-12-3-1-2-4-13(12)20-14/h1-4,9,11H,5-8,10H2,(H2,17,22)(H,19,23)
InChIKeyQAFMMXKCJJXPNX-UHFFFAOYSA-N
XLogP0.31
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]quinoxaline-2-carboxamide
CID 47031610
N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 113265403
N-[(3R)-piperidin-3-yl]quinoxaline-2-carboxamide
CID 105061101
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
CID 60707818
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)quinoxaline-2-carboxamide
CID 45352272
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride
CID 119600664
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide
CID 98783711
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
CID 106993304
2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66389073

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide (CID 46589381) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide is NC(=O)CN1CCC(NC(=O)c2cnc3ccccc3n2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide?
The InChIKey is QAFMMXKCJJXPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-15(22)10-21-7-5-11(6-8-21)19-16(23)14-9-18-12-3-1-2-4-13(12)20-14/h1-4,9,11H,5-8,10H2,(H2,17,22)(H,19,23).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 46589381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).