2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one

C23H22FNO3 — CID 58485443

IUPAC2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1C(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H22FNO3/c24-18-10-7-16(8-11-18)23(28)25-13-3-5-17(14-25)21(26)20-12-9-15-4-1-2-6-19(15)22(20)27/h1-2,4,6-8,10-11,17,20H,3,5,9,12-14H2
InChIKeyHJYALPJYIDFWOZ-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.69
Rot. Bonds3

About 2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one

2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 58485443) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID58485443
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC Name2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1C(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H22FNO3/c24-18-10-7-16(8-11-18)23(28)25-13-3-5-17(14-25)21(26)20-12-9-15-4-1-2-6-19(15)22(20)27/h1-2,4,6-8,10-11,17,20H,3,5,9,12-14H2
InChIKeyHJYALPJYIDFWOZ-UHFFFAOYSA-N
XLogP3.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(4-fluorophenyl)-[3-(1-methyl-4,5-dihydrobenzo[g]indazol-3-yl)piperidin-1-yl]methanone
CID 58485453
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[(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
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one (CID 58485443) is 2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1C(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HJYALPJYIDFWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c24-18-10-7-16(8-11-18)23(28)25-13-3-5-17(14-25)21(26)20-12-9-15-4-1-2-6-19(15)22(20)27/h1-2,4,6-8,10-11,17,20H,3,5,9,12-14H2.
What are the key properties of 2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 379.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 58485443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).