ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane

C43H83N5O2 — CID 177011025

IUPACethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane
SMILESCC.CC(C)C1CCN(C2CCC3(CC2)CN(C(C)C)C3)CC1.CC(C)N1CCC(O)(CC(=O)N2CCC3(CC2)CCN(C(C)C)CC3)CC1
InChIInChI=1S/C22H41N3O2.C19H36N2.C2H6/c1-18(2)23-11-5-21(6-12-23)7-13-25(14-8-21)20(26)17-22(27)9-15-24(16-10-22)19(3)4;1-15(2)17-7-11-20(12-8-17)18-5-9-19(10-6-18)13-21(14-19)16(3)4;1-2/h18-19,27H,5-17H2,1-4H3;15-18H,5-14H2,1-4H3;1-2H3
InChIKeyBAJCZNXSFVLYSG-UHFFFAOYSA-N
MW702.17 g/mol
LogP7.76
Rot. Bonds7

About ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane

ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane (PubChem CID 177011025) has the molecular formula C43H83N5O2 and a molecular weight of 702.17 g/mol. Its IUPAC name is ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane
PubChem CID177011025
Molecular FormulaC43H83N5O2
Molecular Weight702.17 g/mol
Exact Mass701.65
IUPAC Nameethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane
SMILESCC.CC(C)C1CCN(C2CCC3(CC2)CN(C(C)C)C3)CC1.CC(C)N1CCC(O)(CC(=O)N2CCC3(CC2)CCN(C(C)C)CC3)CC1
InChIInChI=1S/C22H41N3O2.C19H36N2.C2H6/c1-18(2)23-11-5-21(6-12-23)7-13-25(14-8-21)20(26)17-22(27)9-15-24(16-10-22)19(3)4;1-15(2)17-7-11-20(12-8-17)18-5-9-19(10-6-18)13-21(14-19)16(3)4;1-2/h18-19,27H,5-17H2,1-4H3;15-18H,5-14H2,1-4H3;1-2H3
InChIKeyBAJCZNXSFVLYSG-UHFFFAOYSA-N
XLogP7.76
TPSA53.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.17
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)ethanone
CID 177010579
2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 177010300
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
CID 168786044
2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
CID 155880003
7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 176983528
2,4-dimethylpentane;1,3-di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-1-propan-2-yloxybutane;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 158878499
2-(propan-2-ylamino)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 156517459
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865
2-[4-hydroxy-1-(4-propan-2-ylphenyl)piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 156516046
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
The IUPAC name of ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane (CID 177011025) is ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
The canonical SMILES for ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane is CC.CC(C)C1CCN(C2CCC3(CC2)CN(C(C)C)C3)CC1.CC(C)N1CCC(O)(CC(=O)N2CCC3(CC2)CCN(C(C)C)CC3)CC1.
What is the InChIKey of ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
The InChIKey is BAJCZNXSFVLYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O2.C19H36N2.C2H6/c1-18(2)23-11-5-21(6-12-23)7-13-25(14-8-21)20(26)17-22(27)9-15-24(16-10-22)19(3)4;1-15(2)17-7-11-20(12-8-17)18-5-9-19(10-6-18)13-21(14-19)16(3)4;1-2/h18-19,27H,5-17H2,1-4H3;15-18H,5-14H2,1-4H3;1-2H3.
What are the key properties of ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane has a molecular weight of 702.17 g/mol, XLogP of 7.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 177011025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).