[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C17H23FN2O — CID 5154601

IUPAC[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2cccc(F)c2)C1)N1CCCC1
InChIInChI=1S/C17H23FN2O/c18-16-7-3-5-14(11-16)12-19-8-4-6-15(13-19)17(21)20-9-1-2-10-20/h3,5,7,11,15H,1-2,4,6,8-10,12-13H2
InChIKeyPOWDRGBDVHKSNW-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.66
Rot. Bonds3

About [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 5154601) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID5154601
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2cccc(F)c2)C1)N1CCCC1
InChIInChI=1S/C17H23FN2O/c18-16-7-3-5-14(11-16)12-19-8-4-6-15(13-19)17(21)20-9-1-2-10-20/h3,5,7,11,15H,1-2,4,6,8-10,12-13H2
InChIKeyPOWDRGBDVHKSNW-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 5154601) is [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCCN(Cc2cccc(F)c2)C1)N1CCCC1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is POWDRGBDVHKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-16-7-3-5-14(11-16)12-19-8-4-6-15(13-19)17(21)20-9-1-2-10-20/h3,5,7,11,15H,1-2,4,6,8-10,12-13H2.
What are the key properties of [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 290.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 5154601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).