3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C12H21N3O2 — CID 60756437

IUPAC3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C12H21N3O2/c1-14(2)12(17)15-7-3-4-9(8-15)11(16)13-10-5-6-10/h9-10H,3-8H2,1-2H3,(H,13,16)
InChIKeyWMYQOENWGOCZDA-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.66
Rot. Bonds2

About 3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 60756437) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID60756437
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C12H21N3O2/c1-14(2)12(17)15-7-3-4-9(8-15)11(16)13-10-5-6-10/h9-10H,3-8H2,1-2H3,(H,13,16)
InChIKeyWMYQOENWGOCZDA-UHFFFAOYSA-N
XLogP0.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 60756437) is 3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)NC2CC2)C1.
What is the InChIKey of 3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is WMYQOENWGOCZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14(2)12(17)15-7-3-4-9(8-15)11(16)13-10-5-6-10/h9-10H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 60756437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).