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

C25H30N4O2 — CID 50752892

IUPACN-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCCC(C(=O)Nc2cccc(CC)c2)C1
InChIInChI=1S/C25H30N4O2/c1-3-15-31-25-23(27-21-12-5-6-13-22(21)28-25)29-14-8-10-19(17-29)24(30)26-20-11-7-9-18(4-2)16-20/h5-7,9,11-13,16,19H,3-4,8,10,14-15,17H2,1-2H3,(H,26,30)
InChIKeyVTNVPVMXFSVJAE-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.84
Rot. Bonds7

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

N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 50752892) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID50752892
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCCCOc1nc2ccccc2nc1N1CCCC(C(=O)Nc2cccc(CC)c2)C1
InChIInChI=1S/C25H30N4O2/c1-3-15-31-25-23(27-21-12-5-6-13-22(21)28-25)29-14-8-10-19(17-29)24(30)26-20-11-7-9-18(4-2)16-20/h5-7,9,11-13,16,19H,3-4,8,10,14-15,17H2,1-2H3,(H,26,30)
InChIKeyVTNVPVMXFSVJAE-UHFFFAOYSA-N
XLogP4.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
N-(2-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752918
N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752891
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
N-(4-ethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752640
(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009810
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047797
N-(5-chloro-2-methoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752840
N-[(4-fluorophenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752850
(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050447
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 50752892) is N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is CCCOc1nc2ccccc2nc1N1CCCC(C(=O)Nc2cccc(CC)c2)C1.
What is the InChIKey of N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is VTNVPVMXFSVJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-15-31-25-23(27-21-12-5-6-13-22(21)28-25)29-14-8-10-19(17-29)24(30)26-20-11-7-9-18(4-2)16-20/h5-7,9,11-13,16,19H,3-4,8,10,14-15,17H2,1-2H3,(H,26,30).
What are the key properties of N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide?
N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50752892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).