tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate

C16H29N3O4 — CID 10853670

IUPACtert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate
SMILESCC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)N1CCCCC1
InChIInChI=1S/C16H29N3O4/c1-15(2,3)22-13(20)17-12(19-10-8-7-9-11-19)18-14(21)23-16(4,5)6/h7-11H2,1-6H3,(H,17,18,20,21)
InChIKeyAEJACKHZEFAIIH-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.29
Rot. Bonds

About tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate

tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate (PubChem CID 10853670) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate
PubChem CID10853670
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nametert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate
SMILESCC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)N1CCCCC1
InChIInChI=1S/C16H29N3O4/c1-15(2,3)22-13(20)17-12(19-10-8-7-9-11-19)18-14(21)23-16(4,5)6/h7-11H2,1-6H3,(H,17,18,20,21)
InChIKeyAEJACKHZEFAIIH-UHFFFAOYSA-N
XLogP3.29
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrrolidin-1-ylmethylidene]carbamate
CID 9948718
[Tert-butoxycarbonylimino-(4-oxo-piperidin-1-yl)-methyl]-carbamic acid tert-butyl ester
CID 67272519
tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-(4-oxopiperidin-1-yl)methylidene]carbamate
CID 11727568
tert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrrolidin-1-ylmethylidene]carbamate
CID 10710322
tert-butyl N-[N'-[3-(1-methylpiperidin-4-yl)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 46221770
tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate
CID 53638430
tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrrolidin-1-ylmethylidene]carbamate
CID 54472618
tert-butyl N-[[4-(aminomethyl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 54513023
tert-butyl N-[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-[3-(1-methylpiperidin-4-yl)propyl]carbamate
CID 59140968
tert-butyl N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 60075102
[Tert-butoxycarbonylimino-(4-hydroxy-piperidin-1-yl)-methyl]-carbamic acid tert-butyl ester
CID 67271828
N-[3-(1-methylpiperidin-4-yl)-propyl]-N,N',N''-tri-Boc-guanidine
CID 68526405

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate?
The IUPAC name of tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate (CID 10853670) is tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate?
The canonical SMILES for tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate is CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)N1CCCCC1.
What is the InChIKey of tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate?
The InChIKey is AEJACKHZEFAIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-15(2,3)22-13(20)17-12(19-10-8-7-9-11-19)18-14(21)23-16(4,5)6/h7-11H2,1-6H3,(H,17,18,20,21).
What are the key properties of tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate?
tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate has a molecular weight of 327.43 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate is sourced from PubChem (CID 10853670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).