1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane

C23H43F2N3O — CID 176558760

IUPAC1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane
SMILESCC.CCC(=O)N1CCC2(CC1)CCN([C@H]1CCN(CC(C)C)CC1(F)F)CC2
InChIInChI=1S/C21H37F2N3O.C2H6/c1-4-19(27)26-13-8-20(9-14-26)6-11-25(12-7-20)18-5-10-24(15-17(2)3)16-21(18,22)23;1-2/h17-18H,4-16H2,1-3H3;1-2H3/t18-;/m0./s1
InChIKeyGXALUHMIUMFARA-FERBBOLQSA-N
MW415.61 g/mol
LogP4.49
Rot. Bonds4

About 1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane

1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane (PubChem CID 176558760) has the molecular formula C23H43F2N3O and a molecular weight of 415.61 g/mol. Its IUPAC name is 1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane.

Molecular Properties

Compound Name1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane
PubChem CID176558760
Molecular FormulaC23H43F2N3O
Molecular Weight415.61 g/mol
Exact Mass415.34
IUPAC Name1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane
SMILESCC.CCC(=O)N1CCC2(CC1)CCN([C@H]1CCN(CC(C)C)CC1(F)F)CC2
InChIInChI=1S/C21H37F2N3O.C2H6/c1-4-19(27)26-13-8-20(9-14-26)6-11-25(12-7-20)18-5-10-24(15-17(2)3)16-21(18,22)23;1-2/h17-18H,4-16H2,1-3H3;1-2H3/t18-;/m0./s1
InChIKeyGXALUHMIUMFARA-FERBBOLQSA-N
XLogP4.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane 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

N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
(1-Tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118531418
(1-Methylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118534927
2,2-Dimethyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 126750478
(1-Tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone
CID 129149462
[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane
CID 144962761
Ethane;2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287073
2,2-Difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
CID 159299521
1-[4-(1,1-Difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;methane
CID 161081266
Ethane;1-[4-(9-ethyl-3-azaspiro[5.5]undecan-3-yl)-3,3-difluoropiperidin-1-yl]propan-1-one
CID 176558123

Frequently Asked Questions

What is the IUPAC name of 1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane?
The IUPAC name of 1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane (CID 176558760) is 1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane.
What is the SMILES notation for 1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane?
The canonical SMILES for 1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane is CC.CCC(=O)N1CCC2(CC1)CCN([C@H]1CCN(CC(C)C)CC1(F)F)CC2.
What is the InChIKey of 1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane?
The InChIKey is GXALUHMIUMFARA-FERBBOLQSA-N. The full InChI is InChI=1S/C21H37F2N3O.C2H6/c1-4-19(27)26-13-8-20(9-14-26)6-11-25(12-7-20)18-5-10-24(15-17(2)3)16-21(18,22)23;1-2/h17-18H,4-16H2,1-3H3;1-2H3/t18-;/m0./s1.
What are the key properties of 1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane?
1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane has a molecular weight of 415.61 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[(4S)-3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one;ethane is sourced from PubChem (CID 176558760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).