1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide

C22H27N3O3 — CID 3222843

IUPAC1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-28-20-12-10-19(11-13-20)24-21(26)18-9-6-14-25(16-18)22(27)23-15-17-7-4-3-5-8-17/h3-5,7-8,10-13,18H,2,6,9,14-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyRNJIMTQFEYYKQW-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.65
Rot. Bonds6

About 1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide

1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 3222843) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID3222843
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-28-20-12-10-19(11-13-20)24-21(26)18-9-6-14-25(16-18)22(27)23-15-17-7-4-3-5-8-17/h3-5,7-8,10-13,18H,2,6,9,14-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyRNJIMTQFEYYKQW-UHFFFAOYSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide (CID 3222843) is 1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide is CCOc1ccc(NC(=O)C2CCCN(C(=O)NCc3ccccc3)C2)cc1.
What is the InChIKey of 1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is RNJIMTQFEYYKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-28-20-12-10-19(11-13-20)24-21(26)18-9-6-14-25(16-18)22(27)23-15-17-7-4-3-5-8-17/h3-5,7-8,10-13,18H,2,6,9,14-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide?
1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-(4-ethoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 3222843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).