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

C22H28N6O2 — CID 91951375

IUPAC3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21
InChIInChI=1S/C22H28N6O2/c1-16(2)28-19(10-12-23-28)25-20(29)11-15-27-18-9-5-4-8-17(18)24-21(22(27)30)26-13-6-3-7-14-26/h4-5,8-10,12,16H,3,6-7,11,13-15H2,1-2H3,(H,25,29)
InChIKeyJOMOQGAJVQKTSP-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.19
Rot. Bonds6

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

3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 91951375) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID91951375
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21
InChIInChI=1S/C22H28N6O2/c1-16(2)28-19(10-12-23-28)25-20(29)11-15-27-18-9-5-4-8-17(18)24-21(22(27)30)26-13-6-3-7-14-26/h4-5,8-10,12,16H,3,6-7,11,13-15H2,1-2H3,(H,25,29)
InChIKeyJOMOQGAJVQKTSP-UHFFFAOYSA-N
XLogP3.19
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951592
N-(2-methyl-3-pyridinyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951489
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 91951480
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 91951482
N-(2-methoxyethyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951418
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 91951168
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951351
N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951424
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide
CID 91951172
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 91951223
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951394
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-pyridin-4-ylpropanamide
CID 91951572

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 91951375) is 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21.
What is the InChIKey of 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is JOMOQGAJVQKTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-16(2)28-19(10-12-23-28)25-20(29)11-15-27-18-9-5-4-8-17(18)24-21(22(27)30)26-13-6-3-7-14-26/h4-5,8-10,12,16H,3,6-7,11,13-15H2,1-2H3,(H,25,29).
What are the key properties of 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 408.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 91951375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).