N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide

C22H26N4O — CID 22522891

IUPACN-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(c2nc3ccccc3n3cccc23)C1
InChIInChI=1S/C22H26N4O/c27-22(23-17-8-1-2-9-17)16-7-5-13-25(15-16)21-20-12-6-14-26(20)19-11-4-3-10-18(19)24-21/h3-4,6,10-12,14,16-17H,1-2,5,7-9,13,15H2,(H,23,27)
InChIKeyVMLVRKDQGIUUCG-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.76
Rot. Bonds3

About N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide

N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide (PubChem CID 22522891) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
PubChem CID22522891
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(c2nc3ccccc3n3cccc23)C1
InChIInChI=1S/C22H26N4O/c27-22(23-17-8-1-2-9-17)16-7-5-13-25(15-16)21-20-12-6-14-26(20)19-11-4-3-10-18(19)24-21/h3-4,6,10-12,14,16-17H,1-2,5,7-9,13,15H2,(H,23,27)
InChIKeyVMLVRKDQGIUUCG-UHFFFAOYSA-N
XLogP3.76
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522818
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522896
(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454576
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
N-[(3-fluorophenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522906
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070379
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522901
N-(1-benzylpiperidin-4-yl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522832
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide (CID 22522891) is N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide is O=C(NC1CCCC1)C1CCCN(c2nc3ccccc3n3cccc23)C1.
What is the InChIKey of N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
The InChIKey is VMLVRKDQGIUUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c27-22(23-17-8-1-2-9-17)16-7-5-13-25(15-16)21-20-12-6-14-26(20)19-11-4-3-10-18(19)24-21/h3-4,6,10-12,14,16-17H,1-2,5,7-9,13,15H2,(H,23,27).
What are the key properties of N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide?
N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 22522891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).