3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

C17H25FN2O2 — CID 35416969

IUPAC3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1F
InChIInChI=1S/C17H25FN2O2/c1-13-6-10-20(11-7-13)9-3-8-19-17(21)14-4-5-16(22-2)15(18)12-14/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,21)
InChIKeyQVROYQYJBWJZOO-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.69
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 35416969) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID35416969
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1F
InChIInChI=1S/C17H25FN2O2/c1-13-6-10-20(11-7-13)9-3-8-19-17(21)14-4-5-16(22-2)15(18)12-14/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,21)
InChIKeyQVROYQYJBWJZOO-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]-3-nitrobenzamide
CID 35416343
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-fluoro-4-methoxybenzamide
CID 37096433
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100614763
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
3-methoxy-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111386707
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
CID 47029235

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (CID 35416969) is 3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is COc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is QVROYQYJBWJZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13-6-10-20(11-7-13)9-3-8-19-17(21)14-4-5-16(22-2)15(18)12-14/h4-5,12-13H,3,6-11H2,1-2H3,(H,19,21).
What are the key properties of 3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 308.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 35416969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).