3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide

C21H24F2N2O2 — CID 58945403

IUPAC3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1cccc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H24F2N2O2/c22-19-9-8-18(15-20(19)23)27-17-7-4-6-16(14-17)21(26)24-10-5-13-25-11-2-1-3-12-25/h4,6-9,14-15H,1-3,5,10-13H2,(H,24,26)
InChIKeyNGHJEOVUNLVRIJ-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.36
Rot. Bonds7

About 3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide

3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 58945403) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID58945403
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCCC1)c1cccc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H24F2N2O2/c22-19-9-8-18(15-20(19)23)27-17-7-4-6-16(14-17)21(26)24-10-5-13-25-11-2-1-3-12-25/h4,6-9,14-15H,1-3,5,10-13H2,(H,24,26)
InChIKeyNGHJEOVUNLVRIJ-UHFFFAOYSA-N
XLogP4.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methyl-3-nitrophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
CID 58945392
methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate
CID 11702224
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 46388753
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 62682209
4-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446997
4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462134
3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176255
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide (CID 58945403) is 3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCCC1)c1cccc(Oc2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is NGHJEOVUNLVRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c22-19-9-8-18(15-20(19)23)27-17-7-4-6-16(14-17)21(26)24-10-5-13-25-11-2-1-3-12-25/h4,6-9,14-15H,1-3,5,10-13H2,(H,24,26).
What are the key properties of 3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide?
3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 374.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 58945403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).