N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide

C25H33N5O — CID 22522853

IUPACN-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCCN1CCCCCC1)C1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C25H33N5O/c31-25(26-13-19-28-14-5-1-2-6-15-28)20-11-17-29(18-12-20)24-23-10-7-16-30(23)22-9-4-3-8-21(22)27-24/h3-4,7-10,16,20H,1-2,5-6,11-15,17-19H2,(H,26,31)
InChIKeyQVAOTCJHGTVYHS-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.70
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide

N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide (PubChem CID 22522853) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
PubChem CID22522853
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCCN1CCCCCC1)C1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C25H33N5O/c31-25(26-13-19-28-14-5-1-2-6-15-28)20-11-17-29(18-12-20)24-23-10-7-16-30(23)22-9-4-3-8-21(22)27-24/h3-4,7-10,16,20H,1-2,5-6,11-15,17-19H2,(H,26,31)
InChIKeyQVAOTCJHGTVYHS-UHFFFAOYSA-N
XLogP3.70
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522852
N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522846
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522822
N-(2-methoxyethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 126458585
1-(4-ethylpyrrolo[1,2-d][1,2,4]triazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 46396734
N-cyclopropyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522818
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522803
(3S)-N-(2-pyrrolidin-1-ylethyl)-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 92870571
1-pyrrolo[1,2-a]quinoxalin-4-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 22522868
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522896
1-[1-(2-methoxyethyl)benzimidazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 42880181
N-(1-benzylpiperidin-4-yl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522832

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide (CID 22522853) is N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide is O=C(NCCN1CCCCCC1)C1CCN(c2nc3ccccc3n3cccc23)CC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
The InChIKey is QVAOTCJHGTVYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c31-25(26-13-19-28-14-5-1-2-6-15-28)20-11-17-29(18-12-20)24-23-10-7-16-30(23)22-9-4-3-8-21(22)27-24/h3-4,7-10,16,20H,1-2,5-6,11-15,17-19H2,(H,26,31).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide?
N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 22522853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).