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

CID 174096666
CID 174096666
N,2-dimethoxy-N-methyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
CID 175721595
N,N-dimethyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
CID 175451125
1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one
CID 163253215
methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate
CID 175721728
2-[(3-fluoro-4-pyridinyl)methoxy]-6-piperidin-4-ylpyridine
CID 167093520
7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
CID 167020774
2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine
CID 170199883
4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125146023
methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate
CID 155190470
2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine
CID 175227564
3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid
CID 167016002

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).