1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride

C24H27ClFNO2 — CID 45261760

IUPAC1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCC2(CCc3ccccc3C2=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H26FNO2.ClH/c25-20-9-7-19(8-10-20)22(27)6-3-15-26-16-13-24(14-17-26)12-11-18-4-1-2-5-21(18)23(24)28;/h1-2,4-5,7-10H,3,6,11-17H2;1H
InChIKeyORBUHQIBHKPCNN-UHFFFAOYSA-N
MW415.94 g/mol
LogP5.12
Rot. Bonds5

About 1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride

1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride (PubChem CID 45261760) has the molecular formula C24H27ClFNO2 and a molecular weight of 415.94 g/mol. Its IUPAC name is 1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride.

Molecular Properties

Compound Name1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
PubChem CID45261760
Molecular FormulaC24H27ClFNO2
Molecular Weight415.94 g/mol
Exact Mass415.17
IUPAC Name1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCC2(CCc3ccccc3C2=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H26FNO2.ClH/c25-20-9-7-19(8-10-20)22(27)6-3-15-26-16-13-24(14-17-26)12-11-18-4-1-2-5-21(18)23(24)28;/h1-2,4-5,7-10H,3,6,11-17H2;1H
InChIKeyORBUHQIBHKPCNN-UHFFFAOYSA-N
XLogP5.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.94
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride with MolForge

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Related Compounds

Lenperone
CID 32593
Nepinalone
CID 3047788
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 9886130
Dexnafenodone
CID 65834
3-(4-Benzyl-piperazin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 11407131
1'-Benzylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride
CID 45261757
6-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 9930475
2-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-2,3-dihydroinden-1-one
CID 9951008
5-Fluoro-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3-dihydroinden-1-one
CID 9951964
4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one
CID 27620
4-(4-Benzyl-piperidin-1-yl)-1-(4-fluoro-phenyl)-butan-1-one
CID 215369
(4-Fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone
CID 5234410

Frequently Asked Questions

What is the IUPAC name of 1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The IUPAC name of 1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride (CID 45261760) is 1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride.
What is the SMILES notation for 1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The canonical SMILES for 1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride is Cl.O=C(CCCN1CCC2(CCc3ccccc3C2=O)CC1)c1ccc(F)cc1.
What is the InChIKey of 1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
The InChIKey is ORBUHQIBHKPCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO2.ClH/c25-20-9-7-19(8-10-20)22(27)6-3-15-26-16-13-24(14-17-26)12-11-18-4-1-2-5-21(18)23(24)28;/h1-2,4-5,7-10H,3,6,11-17H2;1H.
What are the key properties of 1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride?
1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride has a molecular weight of 415.94 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(4-fluorophenyl)-4-oxobutyl]spiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one;hydrochloride is sourced from PubChem (CID 45261760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).