tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate

C14H25N3O3 — CID 124908663

IUPACtert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate
SMILESCN(C)/C=N/C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-8-6-11(7-9-17)12(18)15-10-16(4)5/h10-11H,6-9H2,1-5H3/b15-10+
InChIKeySFBMCHSZSZMZDG-XNTDXEJSSA-N
MW283.37 g/mol
LogP1.75
Rot. Bonds2

About tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate (PubChem CID 124908663) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate
PubChem CID124908663
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate
SMILESCN(C)/C=N/C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-8-6-11(7-9-17)12(18)15-10-16(4)5/h10-11H,6-9H2,1-5H3/b15-10+
InChIKeySFBMCHSZSZMZDG-XNTDXEJSSA-N
XLogP1.75
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate (CID 124908663) is tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate is CN(C)/C=N/C(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate?
The InChIKey is SFBMCHSZSZMZDG-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-8-6-11(7-9-17)12(18)15-10-16(4)5/h10-11H,6-9H2,1-5H3/b15-10+.
What are the key properties of tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(dimethylaminomethylidenecarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 124908663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).