2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide

C16H22FN3O — CID 79515615

IUPAC2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
SMILESNC(=O)c1c(F)cccc1N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H22FN3O/c17-12-3-1-5-14(15(12)16(18)21)20-9-6-11(7-10-20)13-4-2-8-19-13/h1,3,5,11,13,19H,2,4,6-10H2,(H2,18,21)
InChIKeyYVWXJYRZCLSADH-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.89
Rot. Bonds3

About 2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide

2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide (PubChem CID 79515615) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
PubChem CID79515615
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
SMILESNC(=O)c1c(F)cccc1N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H22FN3O/c17-12-3-1-5-14(15(12)16(18)21)20-9-6-11(7-10-20)13-4-2-8-19-13/h1,3,5,11,13,19H,2,4,6-10H2,(H2,18,21)
InChIKeyYVWXJYRZCLSADH-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The IUPAC name of 2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide (CID 79515615) is 2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The canonical SMILES for 2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide is NC(=O)c1c(F)cccc1N1CCC(C2CCCN2)CC1.
What is the InChIKey of 2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The InChIKey is YVWXJYRZCLSADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-12-3-1-5-14(15(12)16(18)21)20-9-6-11(7-10-20)13-4-2-8-19-13/h1,3,5,11,13,19H,2,4,6-10H2,(H2,18,21).
What are the key properties of 2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide has a molecular weight of 291.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide is sourced from PubChem (CID 79515615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).