4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C16H23N3O2 — CID 3238297

IUPAC4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-18(2)16(21)19-10-8-14(9-11-19)15(20)17-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,20)
InChIKeyGFCRYYXLCZJTEZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.70
Rot. Bonds3

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

4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 3238297) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID3238297
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-18(2)16(21)19-10-8-14(9-11-19)15(20)17-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,20)
InChIKeyGFCRYYXLCZJTEZ-UHFFFAOYSA-N
XLogP1.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 3238297) is 4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is GFCRYYXLCZJTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(2)16(21)19-10-8-14(9-11-19)15(20)17-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,17,20).
What are the key properties of 4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 3238297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).