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

C23H32N4O3 — CID 71631632

IUPACtert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCOc1nc2ccccc2nc1NC1CC1
InChIInChI=1S/C23H32N4O3/c1-23(2,3)30-22(28)27-14-7-6-8-17(27)13-15-29-21-20(24-16-11-12-16)25-18-9-4-5-10-19(18)26-21/h4-5,9-10,16-17H,6-8,11-15H2,1-3H3,(H,24,25)
InChIKeyQMSXNPOPUHAGDN-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.76
Rot. Bonds6

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

tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate (PubChem CID 71631632) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate
PubChem CID71631632
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Nametert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCOc1nc2ccccc2nc1NC1CC1
InChIInChI=1S/C23H32N4O3/c1-23(2,3)30-22(28)27-14-7-6-8-17(27)13-15-29-21-20(24-16-11-12-16)25-18-9-4-5-10-19(18)26-21/h4-5,9-10,16-17H,6-8,11-15H2,1-3H3,(H,24,25)
InChIKeyQMSXNPOPUHAGDN-UHFFFAOYSA-N
XLogP4.76
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2R)-2-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate
CID 97173246
tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate
CID 71631018
tert-butyl (2R)-2-[2-(1,3-benzothiazol-2-yloxy)ethyl]piperidine-1-carboxylate
CID 97173356
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-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168351
tert-butyl (3R)-3-[2-[3-(methylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 97167828
tert-butyl 2-[[(3-chloroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 71631697
tert-butyl 2-[2-(1,2-benzothiazol-3-yloxy)ethyl]piperidine-1-carboxylate
CID 71631638
tert-butyl (2S)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177764
tert-butyl (2R)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177765
tert-butyl 2-[2-(3-methylpyrazin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 71634825

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate (CID 71631632) is tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CCOc1nc2ccccc2nc1NC1CC1.
What is the InChIKey of tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate?
The InChIKey is QMSXNPOPUHAGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-23(2,3)30-22(28)27-14-7-6-8-17(27)13-15-29-21-20(24-16-11-12-16)25-18-9-4-5-10-19(18)26-21/h4-5,9-10,16-17H,6-8,11-15H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate?
tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate has a molecular weight of 412.53 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[3-(cyclopropylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate is sourced from PubChem (CID 71631632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).