ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one

C20H37F2N3O — CID 176558372

IUPACethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC2(CC1)CCN(C1CCN(CC)CC1(F)F)C2
InChIInChI=1S/C18H31F2N3O.C2H6/c1-3-16(24)22-10-6-17(7-11-22)8-12-23(13-17)15-5-9-21(4-2)14-18(15,19)20;1-2/h15H,3-14H2,1-2H3;1-2H3
InChIKeyZGEQIFUZUCMLEK-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.47
Rot. Bonds3

About ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one

ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one (PubChem CID 176558372) has the molecular formula C20H37F2N3O and a molecular weight of 373.53 g/mol. Its IUPAC name is ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
PubChem CID176558372
Molecular FormulaC20H37F2N3O
Molecular Weight373.53 g/mol
Exact Mass373.29
IUPAC Nameethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC2(CC1)CCN(C1CCN(CC)CC1(F)F)C2
InChIInChI=1S/C18H31F2N3O.C2H6/c1-3-16(24)22-10-6-17(7-11-22)8-12-23(13-17)15-5-9-21(4-2)14-18(15,19)20;1-2/h15H,3-14H2,1-2H3;1-2H3
InChIKeyZGEQIFUZUCMLEK-UHFFFAOYSA-N
XLogP3.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-Tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118531418
1-[4-(4,4-Difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750240
2,2-Dimethyl-1-[4-[2-(trifluoromethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one
CID 126750357
2,2-Dimethyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 126750419
2,2-Dimethyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 126750478
Ethane;2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287073
Ethane;2-methyl-1-[2-(3,3,3-trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 145287213
1-[7-(3,3-Difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one
CID 176558074
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

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The IUPAC name of ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one (CID 176558372) is ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one.
What is the SMILES notation for ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The canonical SMILES for ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one is CC.CCC(=O)N1CCC2(CC1)CCN(C1CCN(CC)CC1(F)F)C2.
What is the InChIKey of ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The InChIKey is ZGEQIFUZUCMLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F2N3O.C2H6/c1-3-16(24)22-10-6-17(7-11-22)8-12-23(13-17)15-5-9-21(4-2)14-18(15,19)20;1-2/h15H,3-14H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one has a molecular weight of 373.53 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one is sourced from PubChem (CID 176558372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).