1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one

C23H32F3N3O3 — CID 59159296

IUPAC1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCC1C(=O)N(C(CO)CCN2CCC3(CC3)[C@H](O)C2)CCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H32F3N3O3/c1-16-21(32)29(12-11-28(16)18-4-2-3-17(13-18)23(24,25)26)19(15-30)5-9-27-10-8-22(6-7-22)20(31)14-27/h2-4,13,16,19-20,30-31H,5-12,14-15H2,1H3/t16?,19?,20-/m1/s1
InChIKeyLMQZSYGFUPRKAT-RRWXTXHCSA-N
MW455.52 g/mol
LogP2.34
Rot. Bonds6

About 1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one

1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one (PubChem CID 59159296) has the molecular formula C23H32F3N3O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one
PubChem CID59159296
Molecular FormulaC23H32F3N3O3
Molecular Weight455.52 g/mol
Exact Mass455.24
IUPAC Name1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCC1C(=O)N(C(CO)CCN2CCC3(CC3)[C@H](O)C2)CCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H32F3N3O3/c1-16-21(32)29(12-11-28(16)18-4-2-3-17(13-18)23(24,25)26)19(15-30)5-9-27-10-8-22(6-7-22)20(31)14-27/h2-4,13,16,19-20,30-31H,5-12,14-15H2,1H3/t16?,19?,20-/m1/s1
InChIKeyLMQZSYGFUPRKAT-RRWXTXHCSA-N
XLogP2.34
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-2-one
CID 66783366
1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-[3-(trifluoromethoxy)phenyl]piperazin-2-one
CID 59159287
CID 172739467
CID 172739467
4-[(2S)-5-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxypentan-2-yl]-1-[3-(trifluoromethyl)phenyl]-1,4-diazepan-5-one
CID 67184710
4-[(2R)-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxypentan-2-yl]-1-[3-(trifluoromethyl)phenyl]-1,4-diazepan-5-one
CID 67184708
(3S)-1-[3-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]propyl]-3-methyl-4-naphthalen-2-ylpiperazin-2-one
CID 59159247
(2S)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 59149844
N-(3-chloro-4-fluorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 75082212
[(2S)-2-[(3S)-4-[(3,4-dichlorophenyl)carbamoyl]-3-methyl-2-oxopiperazin-1-yl]-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butyl] benzoate
CID 44612365
5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 117017973
1-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-3-iodo-3-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-2-one
CID 67183184
2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]piperidin-4-one
CID 79396754

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The IUPAC name of 1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one (CID 59159296) is 1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The canonical SMILES for 1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one is CC1C(=O)N(C(CO)CCN2CCC3(CC3)[C@H](O)C2)CCN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The InChIKey is LMQZSYGFUPRKAT-RRWXTXHCSA-N. The full InChI is InChI=1S/C23H32F3N3O3/c1-16-21(32)29(12-11-28(16)18-4-2-3-17(13-18)23(24,25)26)19(15-30)5-9-27-10-8-22(6-7-22)20(31)14-27/h2-4,13,16,19-20,30-31H,5-12,14-15H2,1H3/t16?,19?,20-/m1/s1.
What are the key properties of 1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one?
1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one has a molecular weight of 455.52 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 59159296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).