1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide

C21H25N3O2 — CID 646543

IUPAC1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(22-15-17-7-3-1-4-8-17)19-11-13-24(14-12-19)21(26)23-16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,25)(H,23,26)
InChIKeyRMSJKWFTUVMESV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.92
Rot. Bonds5

About 1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide

1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide (PubChem CID 646543) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide
PubChem CID646543
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(22-15-17-7-3-1-4-8-17)19-11-13-24(14-12-19)21(26)23-16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,25)(H,23,26)
InChIKeyRMSJKWFTUVMESV-UHFFFAOYSA-N
XLogP2.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide (CID 646543) is 1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide?
The InChIKey is RMSJKWFTUVMESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(22-15-17-7-3-1-4-8-17)19-11-13-24(14-12-19)21(26)23-16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,25)(H,23,26).
What are the key properties of 1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide?
1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dibenzylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 646543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).