4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

C25H33N3O2 — CID 55683199

IUPAC4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)NC(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H33N3O2/c1-3-27(4-2)25(30)28-17-15-22(16-18-28)24(29)26-23(21-13-9-6-10-14-21)19-20-11-7-5-8-12-20/h5-14,22-23H,3-4,15-19H2,1-2H3,(H,26,29)
InChIKeyFGJPDBVJAZRNLD-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.26
Rot. Bonds7

About 4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (PubChem CID 55683199) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
PubChem CID55683199
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)NC(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H33N3O2/c1-3-27(4-2)25(30)28-17-15-22(16-18-28)24(29)26-23(21-13-9-6-10-14-21)19-20-11-7-5-8-12-20/h5-14,22-23H,3-4,15-19H2,1-2H3,(H,26,29)
InChIKeyFGJPDBVJAZRNLD-UHFFFAOYSA-N
XLogP4.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (CID 55683199) is 4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)NC(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The InChIKey is FGJPDBVJAZRNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-27(4-2)25(30)28-17-15-22(16-18-28)24(29)26-23(21-13-9-6-10-14-21)19-20-11-7-5-8-12-20/h5-14,22-23H,3-4,15-19H2,1-2H3,(H,26,29).
What are the key properties of 4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2-diphenylethyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55683199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).