N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide

C24H23FN4O — CID 22522906

IUPACN-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCCN(c2nc3ccccc3n3cccc23)C1
InChIInChI=1S/C24H23FN4O/c25-19-8-3-6-17(14-19)15-26-24(30)18-7-4-12-28(16-18)23-22-11-5-13-29(22)21-10-2-1-9-20(21)27-23/h1-3,5-6,8-11,13-14,18H,4,7,12,15-16H2,(H,26,30)
InChIKeyJCXOFLKBEGMZPN-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.16
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide

N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide (PubChem CID 22522906) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
PubChem CID22522906
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC NameN-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCCN(c2nc3ccccc3n3cccc23)C1
InChIInChI=1S/C24H23FN4O/c25-19-8-3-6-17(14-19)15-26-24(30)18-7-4-12-28(16-18)23-22-11-5-13-29(22)21-10-2-1-9-20(21)27-23/h1-3,5-6,8-11,13-14,18H,4,7,12,15-16H2,(H,26,30)
InChIKeyJCXOFLKBEGMZPN-UHFFFAOYSA-N
XLogP4.16
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95068930
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522896
N-[(3-fluorophenyl)methyl]-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070417
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522901
N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522891
1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53203235
(3S)-N-[(3-methoxyphenyl)methyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 92870533
N-[(3-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53210372
(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92876558
(3S)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746504
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
(3R)-N-[(3-fluorophenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866611

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide (CID 22522906) is N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide is O=C(NCc1cccc(F)c1)C1CCCN(c2nc3ccccc3n3cccc23)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The InChIKey is JCXOFLKBEGMZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c25-19-8-3-6-17(14-19)15-26-24(30)18-7-4-12-28(16-18)23-22-11-5-13-29(22)21-10-2-1-9-20(21)27-23/h1-3,5-6,8-11,13-14,18H,4,7,12,15-16H2,(H,26,30).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 22522906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).