4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide

C22H27N3O2 — CID 24819997

IUPAC4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-2-24(17-18-9-5-3-6-10-18)21(26)19-13-15-25(16-14-19)22(27)23-20-11-7-4-8-12-20/h3-12,19H,2,13-17H2,1H3,(H,23,27)
InChIKeyKPOLJQGWXPLYLF-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.98
Rot. Bonds5

About 4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 24819997) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID24819997
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-2-24(17-18-9-5-3-6-10-18)21(26)19-13-15-25(16-14-19)22(27)23-20-11-7-4-8-12-20/h3-12,19H,2,13-17H2,1H3,(H,23,27)
InChIKeyKPOLJQGWXPLYLF-UHFFFAOYSA-N
XLogP3.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide (CID 24819997) is 4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is KPOLJQGWXPLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-24(17-18-9-5-3-6-10-18)21(26)19-13-15-25(16-14-19)22(27)23-20-11-7-4-8-12-20/h3-12,19H,2,13-17H2,1H3,(H,23,27).
What are the key properties of 4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-ethyl-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 24819997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).