3-fluoro-4-(piperidin-2-ylmethoxy)benzamide

C13H17FN2O2 — CID 62349426

IUPAC3-fluoro-4-(piperidin-2-ylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCC2CCCCN2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c14-11-7-9(13(15)17)4-5-12(11)18-8-10-3-1-2-6-16-10/h4-5,7,10,16H,1-3,6,8H2,(H2,15,17)
InChIKeyRPQHSABPSMCWOE-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.45
Rot. Bonds4

About 3-fluoro-4-(piperidin-2-ylmethoxy)benzamide

3-fluoro-4-(piperidin-2-ylmethoxy)benzamide (PubChem CID 62349426) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-4-(piperidin-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(piperidin-2-ylmethoxy)benzamide
PubChem CID62349426
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-fluoro-4-(piperidin-2-ylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCC2CCCCN2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c14-11-7-9(13(15)17)4-5-12(11)18-8-10-3-1-2-6-16-10/h4-5,7,10,16H,1-3,6,8H2,(H2,15,17)
InChIKeyRPQHSABPSMCWOE-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
2-bromo-6-(piperidin-2-ylmethoxy)benzamide
CID 114887724
3-(aminomethyl)-4-(pyrrolidin-2-ylmethoxy)phenol
CID 123921405
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
4-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
CID 106619510
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621481
3-(dimethylamino)-4-(pyrrolidin-2-ylmethoxy)benzoic acid
CID 141036407
2-(2-piperidin-2-ylethoxy)pyridine-4-carboxamide
CID 62347860

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(piperidin-2-ylmethoxy)benzamide?
The IUPAC name of 3-fluoro-4-(piperidin-2-ylmethoxy)benzamide (CID 62349426) is 3-fluoro-4-(piperidin-2-ylmethoxy)benzamide.
What is the SMILES notation for 3-fluoro-4-(piperidin-2-ylmethoxy)benzamide?
The canonical SMILES for 3-fluoro-4-(piperidin-2-ylmethoxy)benzamide is NC(=O)c1ccc(OCC2CCCCN2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(piperidin-2-ylmethoxy)benzamide?
The InChIKey is RPQHSABPSMCWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-7-9(13(15)17)4-5-12(11)18-8-10-3-1-2-6-16-10/h4-5,7,10,16H,1-3,6,8H2,(H2,15,17).
What are the key properties of 3-fluoro-4-(piperidin-2-ylmethoxy)benzamide?
3-fluoro-4-(piperidin-2-ylmethoxy)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(piperidin-2-ylmethoxy)benzamide is sourced from PubChem (CID 62349426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).