N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

C22H30N4O2 — CID 50752908

IUPACN-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C22H30N4O2/c1-2-14-28-22-20(24-18-11-5-6-12-19(18)25-22)26-13-7-8-16(15-26)21(27)23-17-9-3-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3,(H,23,27)
InChIKeyXCHSLXUGUJGVMW-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.69
Rot. Bonds6

About N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide

N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 50752908) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID50752908
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C22H30N4O2/c1-2-14-28-22-20(24-18-11-5-6-12-19(18)25-22)26-13-7-8-16(15-26)21(27)23-17-9-3-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3,(H,23,27)
InChIKeyXCHSLXUGUJGVMW-UHFFFAOYSA-N
XLogP3.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
N-(2-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752918
(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
N-[(4-fluorophenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752850
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 129420371
N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752892
N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752891
(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009810
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047797

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 50752908) is N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is CCCOc1nc2ccccc2nc1N1CCCC(C(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is XCHSLXUGUJGVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-2-14-28-22-20(24-18-11-5-6-12-19(18)25-22)26-13-7-8-16(15-26)21(27)23-17-9-3-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3,(H,23,27).
What are the key properties of N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50752908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).