tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate

C19H25N5O4 — CID 71647015

IUPACtert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1
InChIInChI=1S/C19H25N5O4/c1-19(2,3)28-18(25)22(4)14-6-5-9-23(12-14)17-11-20-16-10-13(24(26)27)7-8-15(16)21-17/h7-8,10-11,14H,5-6,9,12H2,1-4H3
InChIKeyNVJFSYWWEKMLMZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate (PubChem CID 71647015) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate
PubChem CID71647015
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Nametert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1
InChIInChI=1S/C19H25N5O4/c1-19(2,3)28-18(25)22(4)14-6-5-9-23(12-14)17-11-20-16-10-13(24(26)27)7-8-15(16)21-17/h7-8,10-11,14H,5-6,9,12H2,1-4H3
InChIKeyNVJFSYWWEKMLMZ-UHFFFAOYSA-N
XLogP3.37
TPSA101.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate 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 N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate
CID 97166923
1-(6-nitroquinoxalin-2-yl)piperidin-3-amine;hydrochloride
CID 71644205
tert-butyl N-[(3R)-1-(2-chloro-4-nitrophenyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 68976816
tert-butyl N-[(3R)-1-(2-fluoro-4-nitrophenyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 68991336
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
ethyl 6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 86777154
tert-butyl N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 71648616
tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate
CID 165119706
tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 140914655
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 97166895
tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate
CID 51967498
methyl-[(3R)-1-(6-nitroquinolin-2-yl)pyrrolidin-3-yl]carbamic acid
CID 69058174

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate (CID 71647015) is tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate?
The InChIKey is NVJFSYWWEKMLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-19(2,3)28-18(25)22(4)14-6-5-9-23(12-14)17-11-20-16-10-13(24(26)27)7-8-15(16)21-17/h7-8,10-11,14H,5-6,9,12H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate has a molecular weight of 387.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 71647015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).