[1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C17H21FN2O2 — CID 662296

IUPAC[1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C17H21FN2O2/c18-15-7-3-5-13(11-15)16(21)20-10-4-6-14(12-20)17(22)19-8-1-2-9-19/h3,5,7,11,14H,1-2,4,6,8-10,12H2
InChIKeyGTFUNIQBBNAIKX-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.30
Rot. Bonds2

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

[1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 662296) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is [1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID662296
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name[1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C17H21FN2O2/c18-15-7-3-5-13(11-15)16(21)20-10-4-6-14(12-20)17(22)19-8-1-2-9-19/h3,5,7,11,14H,1-2,4,6,8-10,12H2
InChIKeyGTFUNIQBBNAIKX-UHFFFAOYSA-N
XLogP2.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 662296) is [1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCC2)C1.
What is the InChIKey of [1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GTFUNIQBBNAIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-15-7-3-5-13(11-15)16(21)20-10-4-6-14(12-20)17(22)19-8-1-2-9-19/h3,5,7,11,14H,1-2,4,6,8-10,12H2.
What are the key properties of [1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 304.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 662296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).