tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate

C14H24N4O2 — CID 142456979

IUPACtert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate
SMILESC=C/N=C(\N=C)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N4O2/c1-6-16-12(15-5)18-9-7-11(8-10-18)17-13(19)20-14(2,3)4/h6,11H,1,5,7-10H2,2-4H3,(H,17,19)/b16-12+
InChIKeyFFXZSVXHNVWPTI-FOWTUZBSSA-N
MW280.37 g/mol
LogP2.18
Rot. Bonds2

About tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate (PubChem CID 142456979) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate
PubChem CID142456979
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate
SMILESC=C/N=C(\N=C)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N4O2/c1-6-16-12(15-5)18-9-7-11(8-10-18)17-13(19)20-14(2,3)4/h6,11H,1,5,7-10H2,2-4H3,(H,17,19)/b16-12+
InChIKeyFFXZSVXHNVWPTI-FOWTUZBSSA-N
XLogP2.18
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate (CID 142456979) is tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate is C=C/N=C(\N=C)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate?
The InChIKey is FFXZSVXHNVWPTI-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-6-16-12(15-5)18-9-7-11(8-10-18)17-13(19)20-14(2,3)4/h6,11H,1,5,7-10H2,2-4H3,(H,17,19)/b16-12+.
What are the key properties of tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 142456979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).