1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide

C27H37FN2O — CID 56658275

IUPAC1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide
SMILESCCCC(CCC)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H37FN2O/c1-3-16-27(17-4-2,24-10-12-25(28)13-11-24)21-29-26(31)23-14-18-30(19-15-23)20-22-8-6-5-7-9-22/h5-13,23H,3-4,14-21H2,1-2H3,(H,29,31)
InChIKeyRLZBHNDILLUPCN-UHFFFAOYSA-N
MW424.60 g/mol
LogP5.69
Rot. Bonds10

About 1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide

1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide (PubChem CID 56658275) has the molecular formula C27H37FN2O and a molecular weight of 424.60 g/mol. Its IUPAC name is 1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide
PubChem CID56658275
Molecular FormulaC27H37FN2O
Molecular Weight424.60 g/mol
Exact Mass424.29
IUPAC Name1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide
SMILESCCCC(CCC)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H37FN2O/c1-3-16-27(17-4-2,24-10-12-25(28)13-11-24)21-29-26(31)23-14-18-30(19-15-23)20-22-8-6-5-7-9-22/h5-13,23H,3-4,14-21H2,1-2H3,(H,29,31)
InChIKeyRLZBHNDILLUPCN-UHFFFAOYSA-N
XLogP5.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide (CID 56658275) is 1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide is CCCC(CCC)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide?
The InChIKey is RLZBHNDILLUPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN2O/c1-3-16-27(17-4-2,24-10-12-25(28)13-11-24)21-29-26(31)23-14-18-30(19-15-23)20-22-8-6-5-7-9-22/h5-13,23H,3-4,14-21H2,1-2H3,(H,29,31).
What are the key properties of 1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide?
1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide has a molecular weight of 424.60 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(4-fluorophenyl)-2-propylpentyl]piperidine-4-carboxamide is sourced from PubChem (CID 56658275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).