N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide

C23H29N5O2S — CID 91951351

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
SMILESCC(C)(C)c1csc(NC(=O)CCn2c(=O)c(N3CCCCC3)nc3ccccc32)n1
InChIInChI=1S/C23H29N5O2S/c1-23(2,3)18-15-31-22(25-18)26-19(29)11-14-28-17-10-6-5-9-16(17)24-20(21(28)30)27-12-7-4-8-13-27/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3,(H,25,26,29)
InChIKeyCTUKDBBIRHDAIT-UHFFFAOYSA-N
MW439.59 g/mol
LogP4.17
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide (PubChem CID 91951351) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
PubChem CID91951351
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
SMILESCC(C)(C)c1csc(NC(=O)CCn2c(=O)c(N3CCCCC3)nc3ccccc32)n1
InChIInChI=1S/C23H29N5O2S/c1-23(2,3)18-15-31-22(25-18)26-19(29)11-14-28-17-10-6-5-9-16(17)24-20(21(28)30)27-12-7-4-8-13-27/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3,(H,25,26,29)
InChIKeyCTUKDBBIRHDAIT-UHFFFAOYSA-N
XLogP4.17
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 91951480
N-(2-methyl-3-pyridinyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951489
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-(1H-pyrazol-5-yl)propanamide
CID 91951482
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 91951375
3-(benzotriazol-1-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 855784
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-(1,3-thiazol-2-ylmethyl)propanamide
CID 91951223
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
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-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide (CID 91951351) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide is CC(C)(C)c1csc(NC(=O)CCn2c(=O)c(N3CCCCC3)nc3ccccc32)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?
The InChIKey is CTUKDBBIRHDAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-23(2,3)18-15-31-22(25-18)26-19(29)11-14-28-17-10-6-5-9-16(17)24-20(21(28)30)27-12-7-4-8-13-27/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3,(H,25,26,29).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide has a molecular weight of 439.59 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide is sourced from PubChem (CID 91951351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).