1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide

C21H25N3O2 — CID 24762131

IUPAC1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c1-16-8-5-6-12-19(16)23-20(25)18-11-7-13-24(15-18)21(26)22-14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyAMSHDADWZPLOKI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.56
Rot. Bonds4

About 1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide

1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 24762131) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID24762131
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c1-16-8-5-6-12-19(16)23-20(25)18-11-7-13-24(15-18)21(26)22-14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyAMSHDADWZPLOKI-UHFFFAOYSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide (CID 24762131) is 1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide is Cc1ccccc1NC(=O)C1CCCN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is AMSHDADWZPLOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-8-5-6-12-19(16)23-20(25)18-11-7-13-24(15-18)21(26)22-14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide?
1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-(2-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 24762131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).