4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C17H31N3O2 — CID 3236588

IUPAC4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-19(2)17(22)20-12-10-14(11-13-20)16(21)18-15-8-6-4-3-5-7-9-15/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyMMLPCYVMVZJQEH-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.61
Rot. Bonds2

About 4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 3236588) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID3236588
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-19(2)17(22)20-12-10-14(11-13-20)16(21)18-15-8-6-4-3-5-7-9-15/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyMMLPCYVMVZJQEH-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 3236588) is 4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1.
What is the InChIKey of 4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is MMLPCYVMVZJQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-19(2)17(22)20-12-10-14(11-13-20)16(21)18-15-8-6-4-3-5-7-9-15/h14-15H,3-13H2,1-2H3,(H,18,21).
What are the key properties of 4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclooctyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 3236588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).