4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

C24H30ClFN2OS — CID 45263430

IUPAC4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccsc3)CCCCC1)CC2
InChIInChI=1S/C24H29FN2OS.ClH/c25-20-6-4-18(5-7-20)21-16-26-22(28)23(21)11-13-27(14-12-23)24(9-2-1-3-10-24)19-8-15-29-17-19;/h4-8,15,17,21H,1-3,9-14,16H2,(H,26,28);1H
InChIKeyIRTWXVVHHHHTIW-UHFFFAOYSA-N
MW449.04 g/mol
LogP5.46
Rot. Bonds3

About 4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 45263430) has the molecular formula C24H30ClFN2OS and a molecular weight of 449.04 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
PubChem CID45263430
Molecular FormulaC24H30ClFN2OS
Molecular Weight449.04 g/mol
Exact Mass448.18
IUPAC Name4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCl.O=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccsc3)CCCCC1)CC2
InChIInChI=1S/C24H29FN2OS.ClH/c25-20-6-4-18(5-7-20)21-16-26-22(28)23(21)11-13-27(14-12-23)24(9-2-1-3-10-24)19-8-15-29-17-19;/h4-8,15,17,21H,1-3,9-14,16H2,(H,26,28);1H
InChIKeyIRTWXVVHHHHTIW-UHFFFAOYSA-N
XLogP5.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.04
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride with MolForge

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Related Compounds

Proline scaffold, 28
CID 42618125
Rac-4-phenyl-8-(1-thiophen-3-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11188596
4-(4-Fluoro-phenyl)-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11269915
4-(4-Fluoro-phenyl)-8-(1-thiophen-3-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11441323
Rac-4-propyl-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 44414888
Rac-8-[1-(5-methyl-thiophen-2-yl)-cyclohexyl]-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414889
2-(4-Fluorophenyl)-N-[1-(4-methylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 3236509
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-4-(4-(thiophen-3-yl)piperidin-1-yl)butanamide
CID 11844209
Rac-4-phenyl-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 44414664
4-(4-Fluorophenyl)-8-(1-thiophen-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45263429
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(4-fluorobenzyl)-N-methyl-1-(thiophen-3-yl)cyclopropanecarboxamide
CID 53322347
(1S,2R)-2-((4-acetamido-4-phenylpiperidin-1-yl)methyl)-N-(4-fluorobenzyl)-N-methyl-1-(thiophen-2-yl)cyclopropanecarboxamide
CID 53326646

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (CID 45263430) is 4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is Cl.O=C1NCC(c2ccc(F)cc2)C12CCN(C1(c3ccsc3)CCCCC1)CC2.
What is the InChIKey of 4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The InChIKey is IRTWXVVHHHHTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2OS.ClH/c25-20-6-4-18(5-7-20)21-16-26-22(28)23(21)11-13-27(14-12-23)24(9-2-1-3-10-24)19-8-15-29-17-19;/h4-8,15,17,21H,1-3,9-14,16H2,(H,26,28);1H.
What are the key properties of 4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 449.04 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 45263430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).