5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide

C21H31FN2O2 — CID 110309129

IUPAC5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide
SMILESCC(C)CN1CCC(CNC(=O)CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN2O2/c1-16(2)15-24-12-10-17(11-13-24)14-23-21(26)5-3-4-20(25)18-6-8-19(22)9-7-18/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,23,26)
InChIKeyIRKLIFHUYQCXNX-UHFFFAOYSA-N
MW362.49 g/mol
LogP3.66
Rot. Bonds9

About 5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide

5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide (PubChem CID 110309129) has the molecular formula C21H31FN2O2 and a molecular weight of 362.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide
PubChem CID110309129
Molecular FormulaC21H31FN2O2
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide
SMILESCC(C)CN1CCC(CNC(=O)CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN2O2/c1-16(2)15-24-12-10-17(11-13-24)14-23-21(26)5-3-4-20(25)18-6-8-19(22)9-7-18/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,23,26)
InChIKeyIRKLIFHUYQCXNX-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide (CID 110309129) is 5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide is CC(C)CN1CCC(CNC(=O)CCCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide?
The InChIKey is IRKLIFHUYQCXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O2/c1-16(2)15-24-12-10-17(11-13-24)14-23-21(26)5-3-4-20(25)18-6-8-19(22)9-7-18/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,23,26).
What are the key properties of 5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide?
5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide has a molecular weight of 362.49 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-5-oxopentanamide is sourced from PubChem (CID 110309129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).