[3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate

C17H20N6O2 — CID 137210999

IUPAC[3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate
SMILESCCNC(=O)ON1CCCC(c2[nH]ncc3cnc4nccc4c23)C1
InChIInChI=1S/C17H20N6O2/c1-2-18-17(24)25-23-7-3-4-11(10-23)15-14-12(9-21-22-15)8-20-16-13(14)5-6-19-16/h5-6,8-9,11,22H,2-4,7,10H2,1H3,(H,18,24)
InChIKeyQGIBHFHBXLDXSX-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.35
Rot. Bonds3

About [3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate

[3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate (PubChem CID 137210999) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate
PubChem CID137210999
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate
SMILESCCNC(=O)ON1CCCC(c2[nH]ncc3cnc4nccc4c23)C1
InChIInChI=1S/C17H20N6O2/c1-2-18-17(24)25-23-7-3-4-11(10-23)15-14-12(9-21-22-15)8-20-16-13(14)5-6-19-16/h5-6,8-9,11,22H,2-4,7,10H2,1H3,(H,18,24)
InChIKeyQGIBHFHBXLDXSX-UHFFFAOYSA-N
XLogP2.35
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate with MolForge

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Related Compounds

tert-butyl [3-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] carbonate
CID 137211000
[1-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-3-yl] N-propan-2-ylcarbamate
CID 137211001
1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 97344399
[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl] N-cyclopropylcarbamate
CID 137211005
[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 95223362
1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474474
N-[5-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343986
3,3,3-trifluoro-1-[3-(11-methyl-5,7,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl]propan-1-one
CID 136631479
6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 137158623
isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124970609
1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474634
1-cyano-N-[1-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)pyrrolidin-3-yl]methanesulfonamide
CID 137024719

Frequently Asked Questions

What is the IUPAC name of [3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate?
The IUPAC name of [3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate (CID 137210999) is [3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate.
What is the SMILES notation for [3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate?
The canonical SMILES for [3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate is CCNC(=O)ON1CCCC(c2[nH]ncc3cnc4nccc4c23)C1.
What is the InChIKey of [3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate?
The InChIKey is QGIBHFHBXLDXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-2-18-17(24)25-23-7-3-4-11(10-23)15-14-12(9-21-22-15)8-20-16-13(14)5-6-19-16/h5-6,8-9,11,22H,2-4,7,10H2,1H3,(H,18,24).
What are the key properties of [3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate?
[3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate has a molecular weight of 340.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate is sourced from PubChem (CID 137210999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).