N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide

C20H28N4O3 — CID 30444209

IUPACN-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nc3ccccc3n(C)c2=O)CC1
InChIInChI=1S/C20H28N4O3/c1-3-27-14-6-11-21-19(25)15-9-12-24(13-10-15)18-20(26)23(2)17-8-5-4-7-16(17)22-18/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,21,25)
InChIKeyQPRMJQDOGKBHDY-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.69
Rot. Bonds7

About N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide (PubChem CID 30444209) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
PubChem CID30444209
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nc3ccccc3n(C)c2=O)CC1
InChIInChI=1S/C20H28N4O3/c1-3-27-14-6-11-21-19(25)15-9-12-24(13-10-15)18-20(26)23(2)17-8-5-4-7-16(17)22-18/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,21,25)
InChIKeyQPRMJQDOGKBHDY-UHFFFAOYSA-N
XLogP1.69
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951424
N-(3-methoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-4-carboxamide
CID 30445985
N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070354
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 53062561
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 20883058
1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 53021644
1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 53062491
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-propylpiperidine-4-carboxamide
CID 30444827
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 53062510
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580
N-(2-methoxyethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 126458585

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide (CID 30444209) is N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2nc3ccccc3n(C)c2=O)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?
The InChIKey is QPRMJQDOGKBHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-27-14-6-11-21-19(25)15-9-12-24(13-10-15)18-20(26)23(2)17-8-5-4-7-16(17)22-18/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,21,25).
What are the key properties of N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30444209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).