N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide

C21H30N4O3 — CID 91951424

IUPACN-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
SMILESCCOCCCNC(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21
InChIInChI=1S/C21H30N4O3/c1-2-28-16-8-12-22-19(26)11-15-25-18-10-5-4-9-17(18)23-20(21(25)27)24-13-6-3-7-14-24/h4-5,9-10H,2-3,6-8,11-16H2,1H3,(H,22,26)
InChIKeyFDMFEPJKYDLJIH-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.32
Rot. Bonds9

About N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide

N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide (PubChem CID 91951424) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
PubChem CID91951424
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
SMILESCCOCCCNC(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21
InChIInChI=1S/C21H30N4O3/c1-2-28-16-8-12-22-19(26)11-15-25-18-10-5-4-9-17(18)23-20(21(25)27)24-13-6-3-7-14-24/h4-5,9-10H,2-3,6-8,11-16H2,1H3,(H,22,26)
InChIKeyFDMFEPJKYDLJIH-UHFFFAOYSA-N
XLogP2.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.32
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-(2-methoxyethyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951418
N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444209
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 91951223
N-ethyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951590
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070354
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 91951498
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 91951375
N-(2-methyl-3-pyridinyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951489
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951394
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 91951480
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951447

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?
The IUPAC name of N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide (CID 91951424) is N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide is CCOCCCNC(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21.
What is the InChIKey of N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?
The InChIKey is FDMFEPJKYDLJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-2-28-16-8-12-22-19(26)11-15-25-18-10-5-4-9-17(18)23-20(21(25)27)24-13-6-3-7-14-24/h4-5,9-10H,2-3,6-8,11-16H2,1H3,(H,22,26).
What are the key properties of N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?
N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide has a molecular weight of 386.50 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide is sourced from PubChem (CID 91951424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).