methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate

C14H22N4O2 — CID 69409364

IUPACmethyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate
SMILESCOC(=O)C1CN2CCN3CCCN4CCN(C1)C2=C34
InChIInChI=1S/C14H22N4O2/c1-20-14(19)11-9-17-7-5-15-3-2-4-16-6-8-18(10-11)13(17)12(15)16/h11H,2-10H2,1H3
InChIKeyVJIUWVYXAHHJQQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.45
Rot. Bonds1

About methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate

methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate (PubChem CID 69409364) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate
PubChem CID69409364
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate
SMILESCOC(=O)C1CN2CCN3CCCN4CCN(C1)C2=C34
InChIInChI=1S/C14H22N4O2/c1-20-14(19)11-9-17-7-5-15-3-2-4-16-6-8-18(10-11)13(17)12(15)16/h11H,2-10H2,1H3
InChIKeyVJIUWVYXAHHJQQ-UHFFFAOYSA-N
XLogP-0.45
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate with MolForge

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Related Compounds

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methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
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methyl 1-(2-cyanophenyl)piperidine-3-carboxylate
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methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate?
The IUPAC name of methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate (CID 69409364) is methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate.
What is the SMILES notation for methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate?
The canonical SMILES for methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate is COC(=O)C1CN2CCN3CCCN4CCN(C1)C2=C34.
What is the InChIKey of methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate?
The InChIKey is VJIUWVYXAHHJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-14(19)11-9-17-7-5-15-3-2-4-16-6-8-18(10-11)13(17)12(15)16/h11H,2-10H2,1H3.
What are the key properties of methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate?
methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate has a molecular weight of 278.36 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4,8,11-tetrazatetracyclo[6.6.2.04,16.011,15]hexadec-15-ene-6-carboxylate is sourced from PubChem (CID 69409364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).