4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide

C20H27FN4O3 — CID 55837955

IUPAC4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCN1CCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H27FN4O3/c1-23-10-12-25(13-11-23)20(28)16-6-8-24(9-7-16)18(26)14-22-19(27)15-2-4-17(21)5-3-15/h2-5,16H,6-14H2,1H3,(H,22,27)
InChIKeyIVSLHAKCGSBKSD-UHFFFAOYSA-N
MW390.46 g/mol
LogP0.57
Rot. Bonds4

About 4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide

4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 55837955) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID55837955
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Name4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCN1CCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H27FN4O3/c1-23-10-12-25(13-11-23)20(28)16-6-8-24(9-7-16)18(26)14-22-19(27)15-2-4-17(21)5-3-15/h2-5,16H,6-14H2,1H3,(H,22,27)
InChIKeyIVSLHAKCGSBKSD-UHFFFAOYSA-N
XLogP0.57
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 55837955) is 4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide is CN1CCN(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is IVSLHAKCGSBKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-23-10-12-25(13-11-23)20(28)16-6-8-24(9-7-16)18(26)14-22-19(27)15-2-4-17(21)5-3-15/h2-5,16H,6-14H2,1H3,(H,22,27).
What are the key properties of 4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 55837955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).