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

C25H26N4O — CID 22522896

IUPACN-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(c2nc3ccccc3n3cccc23)C1
InChIInChI=1S/C25H26N4O/c30-25(26-15-14-19-8-2-1-3-9-19)20-10-6-16-28(18-20)24-23-13-7-17-29(23)22-12-5-4-11-21(22)27-24/h1-5,7-9,11-13,17,20H,6,10,14-16,18H2,(H,26,30)
InChIKeyGZIFBEWENQJBQR-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.06
Rot. Bonds5

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

N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide (PubChem CID 22522896) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
PubChem CID22522896
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(c2nc3ccccc3n3cccc23)C1
InChIInChI=1S/C25H26N4O/c30-25(26-15-14-19-8-2-1-3-9-19)20-10-6-16-28(18-20)24-23-13-7-17-29(23)22-12-5-4-11-21(22)27-24/h1-5,7-9,11-13,17,20H,6,10,14-16,18H2,(H,26,30)
InChIKeyGZIFBEWENQJBQR-UHFFFAOYSA-N
XLogP4.06
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522906
N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522891
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53070178
(3S)-N-[2-(4-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457841
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522901
(3S)-N-[2-(4-benzylpiperidin-1-yl)ethyl]-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 92870585
N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522853
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522803
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522852
N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53043839

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide (CID 22522896) is N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide is O=C(NCCc1ccccc1)C1CCCN(c2nc3ccccc3n3cccc23)C1.
What is the InChIKey of N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The InChIKey is GZIFBEWENQJBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c30-25(26-15-14-19-8-2-1-3-9-19)20-10-6-16-28(18-20)24-23-13-7-17-29(23)22-12-5-4-11-21(22)27-24/h1-5,7-9,11-13,17,20H,6,10,14-16,18H2,(H,26,30).
What are the key properties of N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 22522896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).