4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

C15H21FN2O2 — CID 120890009

IUPAC4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C15H21FN2O2/c1-20-11-15(6-8-17-9-7-15)10-18-14(19)12-2-4-13(16)5-3-12/h2-5,17H,6-11H2,1H3,(H,18,19)
InChIKeyVXADMHLNEJINEO-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.57
Rot. Bonds5

About 4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 120890009) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
PubChem CID120890009
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCC1(CNC(=O)c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C15H21FN2O2/c1-20-11-15(6-8-17-9-7-15)10-18-14(19)12-2-4-13(16)5-3-12/h2-5,17H,6-11H2,1H3,(H,18,19)
InChIKeyVXADMHLNEJINEO-UHFFFAOYSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120891910
4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120890290
3-bromo-5-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887847
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120888912
4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889912
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887645
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 120889360
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide
CID 120888691

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (CID 120890009) is 4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is COCC1(CNC(=O)c2ccc(F)cc2)CCNCC1.
What is the InChIKey of 4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is VXADMHLNEJINEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-11-15(6-8-17-9-7-15)10-18-14(19)12-2-4-13(16)5-3-12/h2-5,17H,6-11H2,1H3,(H,18,19).
What are the key properties of 4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 280.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 120890009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).