4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide

C17H25FN2O3 — CID 120598082

IUPAC4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide
SMILESCOCCOCc1cc(C(=O)NC2CCNC(C)C2)ccc1F
InChIInChI=1S/C17H25FN2O3/c1-12-9-15(5-6-19-12)20-17(21)13-3-4-16(18)14(10-13)11-23-8-7-22-2/h3-4,10,12,15,19H,5-9,11H2,1-2H3,(H,20,21)
InChIKeyJRRSXEVJBHIBRM-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.86
Rot. Bonds7

About 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide

4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 120598082) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID120598082
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide
SMILESCOCCOCc1cc(C(=O)NC2CCNC(C)C2)ccc1F
InChIInChI=1S/C17H25FN2O3/c1-12-9-15(5-6-19-12)20-17(21)13-3-4-16(18)14(10-13)11-23-8-7-22-2/h3-4,10,12,15,19H,5-9,11H2,1-2H3,(H,20,21)
InChIKeyJRRSXEVJBHIBRM-UHFFFAOYSA-N
XLogP1.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride
CID 119456779
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120600434
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide
CID 120947477
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 120601980
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone
CID 119401463

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide (CID 120598082) is 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide is COCCOCc1cc(C(=O)NC2CCNC(C)C2)ccc1F.
What is the InChIKey of 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is JRRSXEVJBHIBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-12-9-15(5-6-19-12)20-17(21)13-3-4-16(18)14(10-13)11-23-8-7-22-2/h3-4,10,12,15,19H,5-9,11H2,1-2H3,(H,20,21).
What are the key properties of 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide?
4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 324.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120598082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).