1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide

C16H20FN3O5S — CID 39083675

IUPAC1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3O5S/c17-12-1-3-13(4-2-12)19-14(21)9-26(24,25)10-15(22)20-7-5-11(6-8-20)16(18)23/h1-4,11H,5-10H2,(H2,18,23)(H,19,21)
InChIKeyJDUOTYCJOIDSNN-UHFFFAOYSA-N
MW385.42 g/mol
LogP-0.10
Rot. Bonds6

About 1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide

1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide (PubChem CID 39083675) has the molecular formula C16H20FN3O5S and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide
PubChem CID39083675
Molecular FormulaC16H20FN3O5S
Molecular Weight385.42 g/mol
Exact Mass385.11
IUPAC Name1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3O5S/c17-12-1-3-13(4-2-12)19-14(21)9-26(24,25)10-15(22)20-7-5-11(6-8-20)16(18)23/h1-4,11H,5-10H2,(H2,18,23)(H,19,21)
InChIKeyJDUOTYCJOIDSNN-UHFFFAOYSA-N
XLogP-0.10
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide (CID 39083675) is 1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide?
The InChIKey is JDUOTYCJOIDSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O5S/c17-12-1-3-13(4-2-12)19-14(21)9-26(24,25)10-15(22)20-7-5-11(6-8-20)16(18)23/h1-4,11H,5-10H2,(H2,18,23)(H,19,21).
What are the key properties of 1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide?
1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 39083675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).