3-fluoro-4-(piperidin-3-yloxymethyl)benzamide

C13H17FN2O2 — CID 62328013

IUPAC3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
SMILESNC(=O)c1ccc(COC2CCCNC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c14-12-6-9(13(15)17)3-4-10(12)8-18-11-2-1-5-16-7-11/h3-4,6,11,16H,1-2,5,7-8H2,(H2,15,17)
InChIKeyCIDWWJYCLBIRGO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.19
Rot. Bonds4

About 3-fluoro-4-(piperidin-3-yloxymethyl)benzamide

3-fluoro-4-(piperidin-3-yloxymethyl)benzamide (PubChem CID 62328013) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-4-(piperidin-3-yloxymethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
PubChem CID62328013
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
SMILESNC(=O)c1ccc(COC2CCCNC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c14-12-6-9(13(15)17)3-4-10(12)8-18-11-2-1-5-16-7-11/h3-4,6,11,16H,1-2,5,7-8H2,(H2,15,17)
InChIKeyCIDWWJYCLBIRGO-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide
CID 63642494
3-fluoro-4-[[2-(methylamino)cyclohexyl]oxymethyl]benzamide
CID 102633072
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
CID 66246791
(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
CID 66245197
2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid
CID 106939316
3-chloro-4-(piperidin-4-yloxymethyl)benzamide
CID 102668830
4-[(3R)-piperidin-3-yl]oxybenzamide
CID 42553466
3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide
CID 82800343
3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide
CID 62807937
3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
CID 112694932
3-fluoro-4-(pyrrolidin-3-yloxymethyl)benzonitrile
CID 62327906

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(piperidin-3-yloxymethyl)benzamide?
The IUPAC name of 3-fluoro-4-(piperidin-3-yloxymethyl)benzamide (CID 62328013) is 3-fluoro-4-(piperidin-3-yloxymethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-(piperidin-3-yloxymethyl)benzamide?
The canonical SMILES for 3-fluoro-4-(piperidin-3-yloxymethyl)benzamide is NC(=O)c1ccc(COC2CCCNC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(piperidin-3-yloxymethyl)benzamide?
The InChIKey is CIDWWJYCLBIRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-12-6-9(13(15)17)3-4-10(12)8-18-11-2-1-5-16-7-11/h3-4,6,11,16H,1-2,5,7-8H2,(H2,15,17).
What are the key properties of 3-fluoro-4-(piperidin-3-yloxymethyl)benzamide?
3-fluoro-4-(piperidin-3-yloxymethyl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.19, 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-3-yloxymethyl)benzamide is sourced from PubChem (CID 62328013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).