4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C13H25N3O2 — CID 60779224

IUPAC4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)14-11(17)10-6-8-16(9-7-10)12(18)15(4)5/h10H,6-9H2,1-5H3,(H,14,17)
InChIKeyIFMJTWNSWILBDX-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.29
Rot. Bonds1

About 4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 60779224) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID60779224
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)14-11(17)10-6-8-16(9-7-10)12(18)15(4)5/h10H,6-9H2,1-5H3,(H,14,17)
InChIKeyIFMJTWNSWILBDX-UHFFFAOYSA-N
XLogP1.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 60779224) is 4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is IFMJTWNSWILBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,3)14-11(17)10-6-8-16(9-7-10)12(18)15(4)5/h10H,6-9H2,1-5H3,(H,14,17).
What are the key properties of 4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 60779224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).