N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide

C16H23FN2O2 — CID 82732425

IUPACN-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide
SMILESCCC1CCCNC1CNC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-3-11-5-4-8-18-14(11)10-19-16(20)12-6-7-15(21-2)13(17)9-12/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3,(H,19,20)
InChIKeyWNURYISBDLJKQX-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.34
Rot. Bonds5

About N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide

N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide (PubChem CID 82732425) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide
PubChem CID82732425
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide
SMILESCCC1CCCNC1CNC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-3-11-5-4-8-18-14(11)10-19-16(20)12-6-7-15(21-2)13(17)9-12/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3,(H,19,20)
InChIKeyWNURYISBDLJKQX-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide
CID 82731476
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114317199
3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955125
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107014745
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-4-methoxybenzamide
CID 82732421
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-5-methoxybenzamide
CID 82731920
N-[(3-ethylpiperidin-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 82734161
2-ethoxy-N-[(3-ethylpiperidin-2-yl)methyl]benzamide
CID 82732420
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide (CID 82732425) is N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide is CCC1CCCNC1CNC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is WNURYISBDLJKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-11-5-4-8-18-14(11)10-19-16(20)12-6-7-15(21-2)13(17)9-12/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide?
N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 294.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 82732425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).