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

C18H23FN2O2 — CID 3769094

IUPAC[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C18H23FN2O2/c19-16-8-4-6-14(12-16)17(22)21-11-5-7-15(13-21)18(23)20-9-2-1-3-10-20/h4,6,8,12,15H,1-3,5,7,9-11,13H2
InChIKeyLEORBTNGBIKLJK-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.69
Rot. Bonds2

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

[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 3769094) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is [1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID3769094
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C18H23FN2O2/c19-16-8-4-6-14(12-16)17(22)21-11-5-7-15(13-21)18(23)20-9-2-1-3-10-20/h4,6,8,12,15H,1-3,5,7,9-11,13H2
InChIKeyLEORBTNGBIKLJK-UHFFFAOYSA-N
XLogP2.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 3769094) is [1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone is O=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCCC2)C1.
What is the InChIKey of [1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is LEORBTNGBIKLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-16-8-4-6-14(12-16)17(22)21-11-5-7-15(13-21)18(23)20-9-2-1-3-10-20/h4,6,8,12,15H,1-3,5,7,9-11,13H2.
What are the key properties of [1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone?
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 318.39 g/mol, XLogP of 2.69, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 3769094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).