N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide

C23H26N4O — CID 16875992

IUPACN-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(c3cnc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H26N4O/c1-16(2)17-9-11-19(12-10-17)25-23(28)18-6-5-13-27(15-18)22-14-24-20-7-3-4-8-21(20)26-22/h3-4,7-12,14,16,18H,5-6,13,15H2,1-2H3,(H,25,28)
InChIKeyMHGWHOSEYBCVLD-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.61
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide

N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide (PubChem CID 16875992) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
PubChem CID16875992
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN(c3cnc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H26N4O/c1-16(2)17-9-11-19(12-10-17)25-23(28)18-6-5-13-27(15-18)22-14-24-20-7-3-4-8-21(20)26-22/h3-4,7-12,14,16,18H,5-6,13,15H2,1-2H3,(H,25,28)
InChIKeyMHGWHOSEYBCVLD-UHFFFAOYSA-N
XLogP4.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 92726481
N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 46354237
(3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 95063737
N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
CID 53052143
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 90519234
(3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 41015611
(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1452732
(3S)-N-[(4-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 42584756
(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050445
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide (CID 16875992) is N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide is CC(C)c1ccc(NC(=O)C2CCCN(c3cnc4ccccc4n3)C2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The InChIKey is MHGWHOSEYBCVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(2)17-9-11-19(12-10-17)25-23(28)18-6-5-13-27(15-18)22-14-24-20-7-3-4-8-21(20)26-22/h3-4,7-12,14,16,18H,5-6,13,15H2,1-2H3,(H,25,28).
What are the key properties of N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 16875992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).