2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide

C15H21FN2O2 — CID 102882405

IUPAC2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCNCC2C)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-10-8-17-6-5-11(10)9-18-15(19)13-4-3-12(20-2)7-14(13)16/h3-4,7,10-11,17H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyQFYZSSLZYTYVTL-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.81
Rot. Bonds4

About 2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide

2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 102882405) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
PubChem CID102882405
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCNCC2C)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-10-8-17-6-5-11(10)9-18-15(19)13-4-3-12(20-2)7-14(13)16/h3-4,7,10-11,17H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyQFYZSSLZYTYVTL-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699962
2-hydroxy-5-methoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955702
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962
2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 102882104
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699967
2-(2,6-difluorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]acetamide
CID 114700053
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114700030

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide (CID 102882405) is 2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide is COc1ccc(C(=O)NCC2CCNCC2C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is QFYZSSLZYTYVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-8-17-6-5-11(10)9-18-15(19)13-4-3-12(20-2)7-14(13)16/h3-4,7,10-11,17H,5-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 280.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 102882405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).