ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

C23H43F2N3O — CID 176558312

IUPACethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC.CCN1CCC2(CC1)CCN(CC1CCN(C(=O)C(C)C)CC1)CC2(F)F
InChIInChI=1S/C21H37F2N3O.C2H6/c1-4-24-12-7-20(8-13-24)9-14-25(16-21(20,22)23)15-18-5-10-26(11-6-18)19(27)17(2)3;1-2/h17-18H,4-16H2,1-3H3;1-2H3
InChIKeySPHJYIPDBLLEJX-UHFFFAOYSA-N
MW415.61 g/mol
LogP4.35
Rot. Bonds4

About ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 176558312) has the molecular formula C23H43F2N3O and a molecular weight of 415.61 g/mol. Its IUPAC name is ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Nameethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID176558312
Molecular FormulaC23H43F2N3O
Molecular Weight415.61 g/mol
Exact Mass415.34
IUPAC Nameethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC.CCN1CCC2(CC1)CCN(CC1CCN(C(=O)C(C)C)CC1)CC2(F)F
InChIInChI=1S/C21H37F2N3O.C2H6/c1-4-24-12-7-20(8-13-24)9-14-25(16-21(20,22)23)15-18-5-10-26(11-6-18)19(27)17(2)3;1-2/h17-18H,4-16H2,1-3H3;1-2H3
InChIKeySPHJYIPDBLLEJX-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-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

2,2-Dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 126750235
[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane
CID 144962761
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
1-[1-(3,3-Difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane
CID 168882066
3-[1-(2,2-Dimethylpropanoyl)piperidin-4-yl]-2,2-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 169874807
N-[2,2-difluoro-2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylpropanamide
CID 170184807
Ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one
CID 176558164
1-[3-[(5,5-Difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one;ethane
CID 176558168
1-[4-[1-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane
CID 176558181
1-[(3R)-3-[(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 176558264
1-[4-(5,5-Difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one
CID 176558295
1-[9-[(3R,4S)-3-fluoro-1-(2-methylbutyl)piperidin-4-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylpropan-1-one
CID 176558306

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 176558312) is ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is CC.CCN1CCC2(CC1)CCN(CC1CCN(C(=O)C(C)C)CC1)CC2(F)F.
What is the InChIKey of ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is SPHJYIPDBLLEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37F2N3O.C2H6/c1-4-24-12-7-20(8-13-24)9-14-25(16-21(20,22)23)15-18-5-10-26(11-6-18)19(27)17(2)3;1-2/h17-18H,4-16H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 415.61 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[(9-ethyl-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 176558312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).