2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide

C16H23FN2O2 — CID 120889901

IUPAC2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
SMILESCOCC1(CNC(=O)c2cccc(C)c2F)CCNCC1
InChIInChI=1S/C16H23FN2O2/c1-12-4-3-5-13(14(12)17)15(20)19-10-16(11-21-2)6-8-18-9-7-16/h3-5,18H,6-11H2,1-2H3,(H,19,20)
InChIKeyRMZUUTNRGIBKQB-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.88
Rot. Bonds5

About 2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide

2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide (PubChem CID 120889901) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
PubChem CID120889901
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
SMILESCOCC1(CNC(=O)c2cccc(C)c2F)CCNCC1
InChIInChI=1S/C16H23FN2O2/c1-12-4-3-5-13(14(12)17)15(20)19-10-16(11-21-2)6-8-18-9-7-16/h3-5,18H,6-11H2,1-2H3,(H,19,20)
InChIKeyRMZUUTNRGIBKQB-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 120890666
2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888588
2-(2,3-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890498
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 91774714

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide (CID 120889901) is 2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide is COCC1(CNC(=O)c2cccc(C)c2F)CCNCC1.
What is the InChIKey of 2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide?
The InChIKey is RMZUUTNRGIBKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12-4-3-5-13(14(12)17)15(20)19-10-16(11-21-2)6-8-18-9-7-16/h3-5,18H,6-11H2,1-2H3,(H,19,20).
What are the key properties of 2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide?
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide has a molecular weight of 294.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide is sourced from PubChem (CID 120889901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).