2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide

C21H23FN2O3 — CID 23725878

IUPAC2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide
SMILESCC1CCCN(C(=O)c2ccc(COc3cccc(F)c3C(N)=O)cc2)C1
InChIInChI=1S/C21H23FN2O3/c1-14-4-3-11-24(12-14)21(26)16-9-7-15(8-10-16)13-27-18-6-2-5-17(22)19(18)20(23)25/h2,5-10,14H,3-4,11-13H2,1H3,(H2,23,25)
InChIKeyVMHAFEHJVMEZQY-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.38
Rot. Bonds5

About 2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide

2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide (PubChem CID 23725878) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide
PubChem CID23725878
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide
SMILESCC1CCCN(C(=O)c2ccc(COc3cccc(F)c3C(N)=O)cc2)C1
InChIInChI=1S/C21H23FN2O3/c1-14-4-3-11-24(12-14)21(26)16-9-7-15(8-10-16)13-27-18-6-2-5-17(22)19(18)20(23)25/h2,5-10,14H,3-4,11-13H2,1H3,(H2,23,25)
InChIKeyVMHAFEHJVMEZQY-UHFFFAOYSA-N
XLogP3.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2,4-dichlorophenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 2942148
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
2-[4-(3-methylpiperidine-1-carbonyl)phenyl]ethanethioamide
CID 82179236
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
[4-[(2-bromophenoxy)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 3448766
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109055423
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide?
The IUPAC name of 2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide (CID 23725878) is 2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide.
What is the SMILES notation for 2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide?
The canonical SMILES for 2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide is CC1CCCN(C(=O)c2ccc(COc3cccc(F)c3C(N)=O)cc2)C1.
What is the InChIKey of 2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide?
The InChIKey is VMHAFEHJVMEZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-14-4-3-11-24(12-14)21(26)16-9-7-15(8-10-16)13-27-18-6-2-5-17(22)19(18)20(23)25/h2,5-10,14H,3-4,11-13H2,1H3,(H2,23,25).
What are the key properties of 2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide?
2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide has a molecular weight of 370.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 23725878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).