1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide

C22H27N3O2 — CID 3222788

IUPAC1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c26-21(23-14-11-18-7-3-1-4-8-18)20-12-15-25(16-13-20)22(27)24-17-19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,23,26)(H,24,27)
InChIKeyBIVHDLJBDNGLKD-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.97
Rot. Bonds6

About 1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide

1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide (PubChem CID 3222788) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
PubChem CID3222788
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c26-21(23-14-11-18-7-3-1-4-8-18)20-12-15-25(16-13-20)22(27)24-17-19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,23,26)(H,24,27)
InChIKeyBIVHDLJBDNGLKD-UHFFFAOYSA-N
XLogP2.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide (CID 3222788) is 1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide is O=C(NCCc1ccccc1)C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
The InChIKey is BIVHDLJBDNGLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(23-14-11-18-7-3-1-4-8-18)20-12-15-25(16-13-20)22(27)24-17-19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,23,26)(H,24,27).
What are the key properties of 1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide?
1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 3222788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).