tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate

C23H30N6O3 — CID 170612323

IUPACtert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1NC(=O)N1CCN(c2cnccn2)c2ccccc21
InChIInChI=1S/C23H30N6O3/c1-23(2,3)32-22(31)29-13-7-6-10-19(29)26-21(30)28-15-14-27(20-16-24-11-12-25-20)17-8-4-5-9-18(17)28/h4-5,8-9,11-12,16,19H,6-7,10,13-15H2,1-3H3,(H,26,30)
InChIKeyUCVSGKJCFVXBKK-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.89
Rot. Bonds2

About tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate

tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 170612323) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate
PubChem CID170612323
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Nametert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1NC(=O)N1CCN(c2cnccn2)c2ccccc21
InChIInChI=1S/C23H30N6O3/c1-23(2,3)32-22(31)29-13-7-6-10-19(29)26-21(30)28-15-14-27(20-16-24-11-12-25-20)17-8-4-5-9-18(17)28/h4-5,8-9,11-12,16,19H,6-7,10,13-15H2,1-3H3,(H,26,30)
InChIKeyUCVSGKJCFVXBKK-UHFFFAOYSA-N
XLogP3.89
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[[4-(5-fluoro-2-pyridinyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
CID 170612363
tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate
CID 97173227
tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 170439513
tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 95376646
tert-butyl 4-(5-bromo-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 66863540
tert-butyl (2S)-2-(pyrazin-2-ylsulfanylmethyl)piperidine-1-carboxylate
CID 97031777
tert-butyl (2R)-2-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172702
tert-butyl (2S)-2-[(pyridin-3-ylamino)methyl]pyrrolidine-1-carboxylate
CID 10564494
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95257239
tert-butyl 2-[[(2-methyl-3-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 106634097
tert-butyl (2R)-2-[(pyrazin-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 97172794
tert-butyl 2-(2-oxo-2-pyridin-3-ylethyl)azepane-1-carboxylate
CID 103724108

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate (CID 170612323) is tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1NC(=O)N1CCN(c2cnccn2)c2ccccc21.
What is the InChIKey of tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is UCVSGKJCFVXBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-23(2,3)32-22(31)29-13-7-6-10-19(29)26-21(30)28-15-14-27(20-16-24-11-12-25-20)17-8-4-5-9-18(17)28/h4-5,8-9,11-12,16,19H,6-7,10,13-15H2,1-3H3,(H,26,30).
What are the key properties of tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate?
tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-pyrazin-2-yl-2,3-dihydroquinoxaline-1-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 170612323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).