[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone

C18H23FN2O2 — CID 936701

IUPAC[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C18H23FN2O2/c19-16-8-6-14(7-9-16)17(22)21-12-4-5-15(13-21)18(23)20-10-2-1-3-11-20/h6-9,15H,1-5,10-13H2/t15-/m1/s1
InChIKeyHASNZDVDZRSXSH-OAHLLOKOSA-N
MW318.39 g/mol
LogP2.69
Rot. Bonds2

About [(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone

[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 936701) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is [(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID936701
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C18H23FN2O2/c19-16-8-6-14(7-9-16)17(22)21-12-4-5-15(13-21)18(23)20-10-2-1-3-11-20/h6-9,15H,1-5,10-13H2/t15-/m1/s1
InChIKeyHASNZDVDZRSXSH-OAHLLOKOSA-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

[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
1-(azepan-1-yl)-2-[4-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 55466088
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119516771
(4-benzylpiperazin-1-yl)-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 25297530
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390032
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390036
(2S)-1-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365938

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 936701) is [(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone is O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCCCC2)C1.
What is the InChIKey of [(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is HASNZDVDZRSXSH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-16-8-6-14(7-9-16)17(22)21-12-4-5-15(13-21)18(23)20-10-2-1-3-11-20/h6-9,15H,1-5,10-13H2/t15-/m1/s1.
What are the key properties of [(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone?
[(3R)-1-(4-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 [(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 936701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).