5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

C25H32FN3O2 — CID 46067645

IUPAC5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCc1cc(C2CC(C(=O)NCCc3ccccc3)CN(C(=O)NC(C)C)C2)ccc1F
InChIInChI=1S/C25H32FN3O2/c1-17(2)28-25(31)29-15-21(20-9-10-23(26)18(3)13-20)14-22(16-29)24(30)27-12-11-19-7-5-4-6-8-19/h4-10,13,17,21-22H,11-12,14-16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyDBOBYHIXAXOIIF-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.02
Rot. Bonds6

About 5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (PubChem CID 46067645) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
PubChem CID46067645
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCc1cc(C2CC(C(=O)NCCc3ccccc3)CN(C(=O)NC(C)C)C2)ccc1F
InChIInChI=1S/C25H32FN3O2/c1-17(2)28-25(31)29-15-21(20-9-10-23(26)18(3)13-20)14-22(16-29)24(30)27-12-11-19-7-5-4-6-8-19/h4-10,13,17,21-22H,11-12,14-16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyDBOBYHIXAXOIIF-UHFFFAOYSA-N
XLogP4.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (CID 46067645) is 5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is Cc1cc(C2CC(C(=O)NCCc3ccccc3)CN(C(=O)NC(C)C)C2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The InChIKey is DBOBYHIXAXOIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-17(2)28-25(31)29-15-21(20-9-10-23(26)18(3)13-20)14-22(16-29)24(30)27-12-11-19-7-5-4-6-8-19/h4-10,13,17,21-22H,11-12,14-16H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-3-N-(2-phenylethyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 46067645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).