3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide

C26H25F2N3O2 — CID 155425453

IUPAC3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1F
InChIInChI=1S/C26H25F2N3O2/c27-19-9-11-20(12-10-19)29-25(32)22-7-4-8-23(24(22)28)26(33)30-21-13-15-31(16-14-21)17-18-5-2-1-3-6-18/h1-12,21H,13-17H2,(H,29,32)(H,30,33)
InChIKeyMBHCXBUVPPZTQF-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.61
Rot. Bonds6

About 3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide

3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 155425453) has the molecular formula C26H25F2N3O2 and a molecular weight of 449.50 g/mol. Its IUPAC name is 3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
PubChem CID155425453
Molecular FormulaC26H25F2N3O2
Molecular Weight449.50 g/mol
Exact Mass449.19
IUPAC Name3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1F
InChIInChI=1S/C26H25F2N3O2/c27-19-9-11-20(12-10-19)29-25(32)22-7-4-8-23(24(22)28)26(33)30-21-13-15-31(16-14-21)17-18-5-2-1-3-6-18/h1-12,21H,13-17H2,(H,29,32)(H,30,33)
InChIKeyMBHCXBUVPPZTQF-UHFFFAOYSA-N
XLogP4.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6465310
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CID 68709667
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CID 141100659
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide (CID 155425453) is 3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide is O=C(Nc1ccc(F)cc1)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1F.
What is the InChIKey of 3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is MBHCXBUVPPZTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O2/c27-19-9-11-20(12-10-19)29-25(32)22-7-4-8-23(24(22)28)26(33)30-21-13-15-31(16-14-21)17-18-5-2-1-3-6-18/h1-12,21H,13-17H2,(H,29,32)(H,30,33).
What are the key properties of 3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide?
3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 449.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 155425453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).