1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide

C16H19FN2O3 — CID 2401200

IUPAC1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN2O3/c17-13-3-1-11(2-4-13)14(20)5-6-15(21)19-9-7-12(8-10-19)16(18)22/h1-4,12H,5-10H2,(H2,18,22)
InChIKeySLIPBWCZHWIXDJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.51
Rot. Bonds5

About 1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide

1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide (PubChem CID 2401200) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide
PubChem CID2401200
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN2O3/c17-13-3-1-11(2-4-13)14(20)5-6-15(21)19-9-7-12(8-10-19)16(18)22/h1-4,12H,5-10H2,(H2,18,22)
InChIKeySLIPBWCZHWIXDJ-UHFFFAOYSA-N
XLogP1.51
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide (CID 2401200) is 1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
The InChIKey is SLIPBWCZHWIXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c17-13-3-1-11(2-4-13)14(20)5-6-15(21)19-9-7-12(8-10-19)16(18)22/h1-4,12H,5-10H2,(H2,18,22).
What are the key properties of 1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide?
1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2401200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).