N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide

C17H20N4O — CID 155975943

IUPACN-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
SMILESO=C(NC1CCCN(c2cnc3ccccc3n2)C1)C1CC1
InChIInChI=1S/C17H20N4O/c22-17(12-7-8-12)19-13-4-3-9-21(11-13)16-10-18-14-5-1-2-6-15(14)20-16/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,19,22)
InChIKeyPGIHBIJACYRAGH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.12
Rot. Bonds3

About N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide

N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide (PubChem CID 155975943) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
PubChem CID155975943
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
SMILESO=C(NC1CCCN(c2cnc3ccccc3n2)C1)C1CC1
InChIInChI=1S/C17H20N4O/c22-17(12-7-8-12)19-13-4-3-9-21(11-13)16-10-18-14-5-1-2-6-15(14)20-16/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,19,22)
InChIKeyPGIHBIJACYRAGH-UHFFFAOYSA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
N-[1-(4-methylquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974621
(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95550020
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 46354237
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765
(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 92726481
N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 16875992
N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine
CID 56913561
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
(3S)-N-[(4-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 42584756
N-[1-(3-cyanoquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163345952

Frequently Asked Questions

What is the IUPAC name of N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide (CID 155975943) is N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide is O=C(NC1CCCN(c2cnc3ccccc3n2)C1)C1CC1.
What is the InChIKey of N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide?
The InChIKey is PGIHBIJACYRAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(12-7-8-12)19-13-4-3-9-21(11-13)16-10-18-14-5-1-2-6-15(14)20-16/h1-2,5-6,10,12-13H,3-4,7-9,11H2,(H,19,22).
What are the key properties of N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide?
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 155975943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).