8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C30H38F2N2O3 — CID 3077318

IUPAC8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(O)N(C2CCCCC2)C(=O)OC12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C30H38F2N2O3/c1-29(36)30(37-28(35)34(29)26-6-3-2-4-7-26)17-20-33(21-18-30)19-5-8-27(22-9-13-24(31)14-10-22)23-11-15-25(32)16-12-23/h9-16,26-27,36H,2-8,17-21H2,1H3
InChIKeyOHEXMFIDTJPJEO-UHFFFAOYSA-N
MW512.64 g/mol
LogP6.20
Rot. Bonds7

About 8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077318) has the molecular formula C30H38F2N2O3 and a molecular weight of 512.64 g/mol. Its IUPAC name is 8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID3077318
Molecular FormulaC30H38F2N2O3
Molecular Weight512.64 g/mol
Exact Mass512.29
IUPAC Name8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(O)N(C2CCCCC2)C(=O)OC12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIInChI=1S/C30H38F2N2O3/c1-29(36)30(37-28(35)34(29)26-6-3-2-4-7-26)17-20-33(21-18-30)19-5-8-27(22-9-13-24(31)14-10-22)23-11-15-25(32)16-12-23/h9-16,26-27,36H,2-8,17-21H2,1H3
InChIKeyOHEXMFIDTJPJEO-UHFFFAOYSA-N
XLogP6.20
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.64
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 19814314
8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 3077237
(8aS)-2-[4,4-bis(4-fluorophenyl)butyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 1356088
[1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methylphenyl)piperidin-4-yl] acetate
CID 53320075
2-[4,4-bis(4-fluorophenyl)butyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;bis((Z)-but-2-enedioic acid)
CID 5344757
7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one
CID 21295649
5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepane;dihydrochloride
CID 21277222
(3R,4S)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-3-(1-hydroxyethyl)-4-methylpiperidin-4-ol
CID 67740010
4-[4,4-bis(4-fluorophenyl)butyl]-N-methylpiperazine-1-carboxamide
CID 57059266
1'-[4,4-bis(4-fluorophenyl)butyl]-5-fluoro-3-methylidenespiro[1-benzofuran-2,4'-piperidine];oxalic acid
CID 14281504
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-5-fluoro-1H-benzimidazol-2-one
CID 67474892
3-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 62932007

Frequently Asked Questions

What is the IUPAC name of 8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077318) is 8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC1(O)N(C2CCCCC2)C(=O)OC12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2.
What is the InChIKey of 8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OHEXMFIDTJPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N2O3/c1-29(36)30(37-28(35)34(29)26-6-3-2-4-7-26)17-20-33(21-18-30)19-5-8-27(22-9-13-24(31)14-10-22)23-11-15-25(32)16-12-23/h9-16,26-27,36H,2-8,17-21H2,1H3.
What are the key properties of 8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 512.64 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).