3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

C21H25N3O2 — CID 654890

IUPAC3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c1C
InChIInChI=1S/C21H25N3O2/c1-15-8-6-12-19(16(15)2)23-20(25)17-9-7-13-24(14-17)21(26)22-18-10-4-3-5-11-18/h3-6,8,10-12,17H,7,9,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyNXQNGJCHNZULJU-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.19
Rot. Bonds3

About 3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 654890) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID654890
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c1C
InChIInChI=1S/C21H25N3O2/c1-15-8-6-12-19(16(15)2)23-20(25)17-9-7-13-24(14-17)21(26)22-18-10-4-3-5-11-18/h3-6,8,10-12,17H,7,9,13-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyNXQNGJCHNZULJU-UHFFFAOYSA-N
XLogP4.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 654890) is 3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c1C.
What is the InChIKey of 3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is NXQNGJCHNZULJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-8-6-12-19(16(15)2)23-20(25)17-9-7-13-24(14-17)21(26)22-18-10-4-3-5-11-18/h3-6,8,10-12,17H,7,9,13-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 654890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).