4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide

C20H24FN3O3 — CID 170081080

IUPAC4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
SMILESCON(C)C(=O)c1ccc(F)c(COc2cccc(C3CCNCC3)n2)c1
InChIInChI=1S/C20H24FN3O3/c1-24(26-2)20(25)15-6-7-17(21)16(12-15)13-27-19-5-3-4-18(23-19)14-8-10-22-11-9-14/h3-7,12,14,22H,8-11,13H2,1-2H3
InChIKeyMWHDYGWHDXGQDL-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.90
Rot. Bonds6

About 4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide

4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide (PubChem CID 170081080) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
PubChem CID170081080
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
SMILESCON(C)C(=O)c1ccc(F)c(COc2cccc(C3CCNCC3)n2)c1
InChIInChI=1S/C20H24FN3O3/c1-24(26-2)20(25)15-6-7-17(21)16(12-15)13-27-19-5-3-4-18(23-19)14-8-10-22-11-9-14/h3-7,12,14,22H,8-11,13H2,1-2H3
InChIKeyMWHDYGWHDXGQDL-UHFFFAOYSA-N
XLogP2.90
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 58368063
CID 58368063
CID 58368202
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CID 68105435
CID 68105435
CID 71566103
CID 71566103
CID 132256727
CID 132256727
CID 90645439
CID 90645439
CID 162655994
CID 162655994
CID 168283825
CID 168283825

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide?
The IUPAC name of 4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide (CID 170081080) is 4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide?
The canonical SMILES for 4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide is CON(C)C(=O)c1ccc(F)c(COc2cccc(C3CCNCC3)n2)c1.
What is the InChIKey of 4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide?
The InChIKey is MWHDYGWHDXGQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-24(26-2)20(25)15-6-7-17(21)16(12-15)13-27-19-5-3-4-18(23-19)14-8-10-22-11-9-14/h3-7,12,14,22H,8-11,13H2,1-2H3.
What are the key properties of 4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide?
4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide is sourced from PubChem (CID 170081080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).