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

C23H27N5O2 — CID 91951480

IUPAC3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
SMILESCC(NC(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21)c1ccccn1
InChIInChI=1S/C23H27N5O2/c1-17(18-9-5-6-13-24-18)25-21(29)12-16-28-20-11-4-3-10-19(20)26-22(23(28)30)27-14-7-2-8-15-27/h3-6,9-11,13,17H,2,7-8,12,14-16H2,1H3,(H,25,29)
InChIKeyKWJUQMDQAUSIJO-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.05
Rot. Bonds6

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

3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide (PubChem CID 91951480) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
PubChem CID91951480
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
SMILESCC(NC(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21)c1ccccn1
InChIInChI=1S/C23H27N5O2/c1-17(18-9-5-6-13-24-18)25-21(29)12-16-28-20-11-4-3-10-19(20)26-22(23(28)30)27-14-7-2-8-15-27/h3-6,9-11,13,17H,2,7-8,12,14-16H2,1H3,(H,25,29)
InChIKeyKWJUQMDQAUSIJO-UHFFFAOYSA-N
XLogP3.05
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 91951168
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-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951351
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide
CID 91951172
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 91951503
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 91951223
N-(2-methoxyethyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951418
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 91951482
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645457
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951424

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide (CID 91951480) is 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide is CC(NC(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21)c1ccccn1.
What is the InChIKey of 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide?
The InChIKey is KWJUQMDQAUSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17(18-9-5-6-13-24-18)25-21(29)12-16-28-20-11-4-3-10-19(20)26-22(23(28)30)27-14-7-2-8-15-27/h3-6,9-11,13,17H,2,7-8,12,14-16H2,1H3,(H,25,29).
What are the key properties of 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide?
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 91951480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).