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

C22H27N3O3 — CID 651743

IUPAC1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-28-20-10-8-19(9-11-20)24-21(26)18-12-14-25(15-13-18)22(27)23-16-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyXEEBELPYMSXFKW-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.65
Rot. Bonds6

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

1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide (PubChem CID 651743) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide
PubChem CID651743
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-28-20-10-8-19(9-11-20)24-21(26)18-12-14-25(15-13-18)22(27)23-16-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyXEEBELPYMSXFKW-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-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide (CID 651743) is 1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide is CCOc1ccc(NC(=O)C2CCN(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is XEEBELPYMSXFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-28-20-10-8-19(9-11-20)24-21(26)18-12-14-25(15-13-18)22(27)23-16-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide?
1-N-benzyl-4-N-(4-ethoxyphenyl)piperidine-1,4-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-4-N-(4-ethoxyphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 651743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).