2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide

C16H23FN2O3 — CID 111429422

IUPAC2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCN2CCC(O)CC2)c(F)c1
InChIInChI=1S/C16H23FN2O3/c1-22-13-3-4-14(15(17)11-13)16(21)18-7-2-8-19-9-5-12(20)6-10-19/h3-4,11-12,20H,2,5-10H2,1H3,(H,18,21)
InChIKeyKIOVBZIJSYIDAN-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.41
Rot. Bonds6

About 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide

2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide (PubChem CID 111429422) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
PubChem CID111429422
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCN2CCC(O)CC2)c(F)c1
InChIInChI=1S/C16H23FN2O3/c1-22-13-3-4-14(15(17)11-13)16(21)18-7-2-8-19-9-5-12(20)6-10-19/h3-4,11-12,20H,2,5-10H2,1H3,(H,18,21)
InChIKeyKIOVBZIJSYIDAN-UHFFFAOYSA-N
XLogP1.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
2-fluoro-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603316
4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 110007287
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 109476397
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide
CID 35418477
2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
CID 110027638
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide?
The IUPAC name of 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide (CID 111429422) is 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide?
The canonical SMILES for 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCCN2CCC(O)CC2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide?
The InChIKey is KIOVBZIJSYIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-22-13-3-4-14(15(17)11-13)16(21)18-7-2-8-19-9-5-12(20)6-10-19/h3-4,11-12,20H,2,5-10H2,1H3,(H,18,21).
What are the key properties of 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide?
2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide has a molecular weight of 310.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide is sourced from PubChem (CID 111429422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).