1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

C17H25N3O2 — CID 4651693

IUPAC1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-19(2)17(22)20-12-6-9-15(13-20)16(21)18-11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,21)
InChIKeyVESGJGUPYFIKAB-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.74
Rot. Bonds4

About 1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (PubChem CID 4651693) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
PubChem CID4651693
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-19(2)17(22)20-12-6-9-15(13-20)16(21)18-11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,21)
InChIKeyVESGJGUPYFIKAB-UHFFFAOYSA-N
XLogP1.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (CID 4651693) is 1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)NCCc2ccccc2)C1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The InChIKey is VESGJGUPYFIKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(2)17(22)20-12-6-9-15(13-20)16(21)18-11-10-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,21).
What are the key properties of 1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 4651693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).