N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide

C17H20N4O2 — CID 85463869

IUPACN-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2N=c3ccccc3=NC2=O)CC1
InChIInChI=1S/C17H20N4O2/c22-16(18-12-5-6-12)11-7-9-21(10-8-11)15-17(23)20-14-4-2-1-3-13(14)19-15/h1-4,11-12,15H,5-10H2,(H,18,22)
InChIKeyNFYWPLBYGBUNAD-UHFFFAOYSA-N
MW312.37 g/mol
LogP-0.22
Rot. Bonds3

About N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide

N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide (PubChem CID 85463869) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide
PubChem CID85463869
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2N=c3ccccc3=NC2=O)CC1
InChIInChI=1S/C17H20N4O2/c22-16(18-12-5-6-12)11-7-9-21(10-8-11)15-17(23)20-14-4-2-1-3-13(14)19-15/h1-4,11-12,15H,5-10H2,(H,18,22)
InChIKeyNFYWPLBYGBUNAD-UHFFFAOYSA-N
XLogP-0.22
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide (CID 85463869) is N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C2N=c3ccccc3=NC2=O)CC1.
What is the InChIKey of N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide?
The InChIKey is NFYWPLBYGBUNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(18-12-5-6-12)11-7-9-21(10-8-11)15-17(23)20-14-4-2-1-3-13(14)19-15/h1-4,11-12,15H,5-10H2,(H,18,22).
What are the key properties of N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide?
N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-oxo-2H-quinoxalin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 85463869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).