tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate

C23H30N4O3 — CID 69226728

IUPACtert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nc(N)nc3c2CCCc2ccccc2-3)CC1
InChIInChI=1S/C23H30N4O3/c1-23(2,3)30-22(28)27-13-11-16(12-14-27)29-20-18-10-6-8-15-7-4-5-9-17(15)19(18)25-21(24)26-20/h4-5,7,9,16H,6,8,10-14H2,1-3H3,(H2,24,25,26)
InChIKeyFFUZOJCFYCUUHK-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.99
Rot. Bonds2

About tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate

tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate (PubChem CID 69226728) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate
PubChem CID69226728
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Nametert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nc(N)nc3c2CCCc2ccccc2-3)CC1
InChIInChI=1S/C23H30N4O3/c1-23(2,3)30-22(28)27-13-11-16(12-14-27)29-20-18-10-6-8-15-7-4-5-9-17(15)19(18)25-21(24)26-20/h4-5,7,9,16H,6,8,10-14H2,1-3H3,(H2,24,25,26)
InChIKeyFFUZOJCFYCUUHK-UHFFFAOYSA-N
XLogP3.99
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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CID 142713810
tert-butyl 4-[4-(2-methylphenyl)-2-pyridin-2-ylphenoxy]piperidine-1-carboxylate
CID 175122139
tert-butyl (4R,5R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyazepane-1-carboxylate
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tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 4-(2-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperazine-1-carboxylate
CID 18706819
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
tert-butyl 4-(2-amino-6-fluorophenoxy)piperidine-1-carboxylate
CID 53255951
tert-butyl 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylate;ethane;triphenylphosphane
CID 143702973
tert-butyl 4-(4-amino-2,3,5,6-tetradeuteriophenoxy)piperidine-1-carboxylate
CID 165111874
tert-butyl (4R)-4-(6-phenylpyrazolo[1,5-a]pyrazin-4-yl)oxyazepane-1-carboxylate
CID 163302274
tert-butyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)azepane-1-carboxylate
CID 155109001

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate (CID 69226728) is tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2nc(N)nc3c2CCCc2ccccc2-3)CC1.
What is the InChIKey of tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate?
The InChIKey is FFUZOJCFYCUUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-23(2,3)30-22(28)27-13-11-16(12-14-27)29-20-18-10-6-8-15-7-4-5-9-17(15)19(18)25-21(24)26-20/h4-5,7,9,16H,6,8,10-14H2,1-3H3,(H2,24,25,26).
What are the key properties of tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate?
tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate has a molecular weight of 410.52 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-amino-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-yl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 69226728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).