tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate

C24H34N4O3 — CID 71631018

IUPACtert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CCCOc2nc3ccccc3nc2NC2CC2)C1
InChIInChI=1S/C24H34N4O3/c1-24(2,3)31-23(29)28-14-6-8-17(16-28)9-7-15-30-22-21(25-18-12-13-18)26-19-10-4-5-11-20(19)27-22/h4-5,10-11,17-18H,6-9,12-16H2,1-3H3,(H,25,26)
InChIKeyVSMRZGJJHCLTRH-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.01
Rot. Bonds7

About tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate

tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate (PubChem CID 71631018) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate
PubChem CID71631018
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Nametert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CCCOc2nc3ccccc3nc2NC2CC2)C1
InChIInChI=1S/C24H34N4O3/c1-24(2,3)31-23(29)28-14-6-8-17(16-28)9-7-15-30-22-21(25-18-12-13-18)26-19-10-4-5-11-20(19)27-22/h4-5,10-11,17-18H,6-9,12-16H2,1-3H3,(H,25,26)
InChIKeyVSMRZGJJHCLTRH-UHFFFAOYSA-N
XLogP5.01
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-[2-[3-(methylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 97167828
tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97177775
tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate
CID 97173246
tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 71631632
tert-butyl (3S)-3-[[(3-ethoxyquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 97177754
tert-butyl 3-[3-(1,3-benzothiazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 71631021
tert-butyl (3S)-3-[3-[(3-hydroxy-2-pyridinyl)oxy]propyl]piperidine-1-carboxylate
CID 97172035
tert-butyl (3S)-3-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168352
tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate
CID 71631003
tert-butyl (3S)-3-[(3-chloroquinoxalin-2-yl)amino]piperidine-1-carboxylate
CID 71630538
tert-butyl (3S)-3-(2-quinoxalin-2-yloxyethyl)piperidine-1-carboxylate
CID 97172159
tert-butyl 3-[[(3-ethoxyquinoxalin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 71635578

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate (CID 71631018) is tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(CCCOc2nc3ccccc3nc2NC2CC2)C1.
What is the InChIKey of tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate?
The InChIKey is VSMRZGJJHCLTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-24(2,3)31-23(29)28-14-6-8-17(16-28)9-7-15-30-22-21(25-18-12-13-18)26-19-10-4-5-11-20(19)27-22/h4-5,10-11,17-18H,6-9,12-16H2,1-3H3,(H,25,26).
What are the key properties of tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate?
tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate has a molecular weight of 426.56 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 71631018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).