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

C21H41F2N3O — CID 176558837

IUPACethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC.CC.CCN1CCC(N2CCC3(CCN(C(C)=O)C3)CC2)C(F)(F)C1
InChIInChI=1S/C17H29F2N3O.2C2H6/c1-3-20-8-4-15(17(18,19)13-20)21-9-5-16(6-10-21)7-11-22(12-16)14(2)23;2*1-2/h15H,3-13H2,1-2H3;2*1-2H3
InChIKeyDPFFLDHLCSEXFQ-UHFFFAOYSA-N
MW389.58 g/mol
LogP4.10
Rot. Bonds2

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

ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 176558837) has the molecular formula C21H41F2N3O and a molecular weight of 389.58 g/mol. Its IUPAC name is ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID176558837
Molecular FormulaC21H41F2N3O
Molecular Weight389.58 g/mol
Exact Mass389.32
IUPAC Nameethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC.CC.CCN1CCC(N2CCC3(CCN(C(C)=O)C3)CC2)C(F)(F)C1
InChIInChI=1S/C17H29F2N3O.2C2H6/c1-3-20-8-4-15(17(18,19)13-20)21-9-5-16(6-10-21)7-11-22(12-16)14(2)23;2*1-2/h15H,3-13H2,1-2H3;2*1-2H3
InChIKeyDPFFLDHLCSEXFQ-UHFFFAOYSA-N
XLogP4.10
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-Ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 91172286
N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
2,2,2-Trifluoro-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 91583203
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
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
1-[2-(3,3,3-Trifluoropropyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 126758721
1-[7-(3,3-Difluoro-1-propylpiperidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-methylpropan-1-one
CID 176558074
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-[(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
Ethane;1-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 176558372

Frequently Asked Questions

What is the IUPAC name of ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 176558837) is ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC.CC.CCN1CCC(N2CCC3(CCN(C(C)=O)C3)CC2)C(F)(F)C1.
What is the InChIKey of ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is DPFFLDHLCSEXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F2N3O.2C2H6/c1-3-20-8-4-15(17(18,19)13-20)21-9-5-16(6-10-21)7-11-22(12-16)14(2)23;2*1-2/h15H,3-13H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 389.58 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[8-(1-ethyl-3,3-difluoropiperidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 176558837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).