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

C24H34N4O3 — CID 97173246

IUPACtert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOc1nc2ccccc2nc1NC1CC1
InChIInChI=1S/C24H34N4O3/c1-24(2,3)31-23(29)28-15-7-6-9-18(28)10-8-16-30-22-21(25-17-13-14-17)26-19-11-4-5-12-20(19)27-22/h4-5,11-12,17-18H,6-10,13-16H2,1-3H3,(H,25,26)/t18-/m1/s1
InChIKeyKISXXJXRXLRPSU-GOSISDBHSA-N
MW426.56 g/mol
LogP5.15
Rot. Bonds7

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

tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate (PubChem CID 97173246) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate
PubChem CID97173246
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Nametert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOc1nc2ccccc2nc1NC1CC1
InChIInChI=1S/C24H34N4O3/c1-24(2,3)31-23(29)28-15-7-6-9-18(28)10-8-16-30-22-21(25-17-13-14-17)26-19-11-4-5-12-20(19)27-22/h4-5,11-12,17-18H,6-10,13-16H2,1-3H3,(H,25,26)/t18-/m1/s1
InChIKeyKISXXJXRXLRPSU-GOSISDBHSA-N
XLogP5.15
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 ≤ 55.15
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 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 71631632
tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate
CID 71631018
tert-butyl 2-[3-(1,3-benzoxazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 71631579
tert-butyl (2S)-2-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168351
tert-butyl 2-[[(3-chloroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 71631697
tert-butyl 2-[3-(2-oxo-2-pyridin-2-ylethoxy)propyl]piperidine-1-carboxylate
CID 71631587
tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate
CID 97173356
tert-butyl (2R)-2-[3-(4-methylpyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97176826
tert-butyl (2S)-2-[3-(4-methylpyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97176825
tert-butyl (2R)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate
CID 97173354
tert-butyl (2S)-2-[2-(1,3-benzoxazol-2-yloxy)ethyl]piperidine-1-carboxylate
CID 97173355
tert-butyl (2S)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177764

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate (CID 97173246) is tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOc1nc2ccccc2nc1NC1CC1.
What is the InChIKey of tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate?
The InChIKey is KISXXJXRXLRPSU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-24(2,3)31-23(29)28-15-7-6-9-18(28)10-8-16-30-22-21(25-17-13-14-17)26-19-11-4-5-12-20(19)27-22/h4-5,11-12,17-18H,6-10,13-16H2,1-3H3,(H,25,26)/t18-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate has a molecular weight of 426.56 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 97173246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).