2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide

C21H23FN2O3 — CID 108549375

IUPAC2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C21H23FN2O3/c22-19-9-5-4-8-18(19)21(26)23-16-10-13-24(14-11-16)20(25)12-15-27-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,26)
InChIKeyMUZPZWARPKLREH-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.02
Rot. Bonds6

About 2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide

2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide (PubChem CID 108549375) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
PubChem CID108549375
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C21H23FN2O3/c22-19-9-5-4-8-18(19)21(26)23-16-10-13-24(14-11-16)20(25)12-15-27-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,26)
InChIKeyMUZPZWARPKLREH-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108554611
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558573
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2,2-diphenylacetamide
CID 108549605
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554822
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide (CID 108549375) is 2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The InChIKey is MUZPZWARPKLREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-19-9-5-4-8-18(19)21(26)23-16-10-13-24(14-11-16)20(25)12-15-27-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,26).
What are the key properties of 2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide has a molecular weight of 370.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108549375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).