3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane

C45H86N6 — CID 146548378

IUPAC3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CCN(CC3CCN(C(C)(C)C)C(CC(C)(C)N4CCC(CN5CCC6(CCN(C(C)(C)C)CC6)C5)CC4)C3)CC2)CC1
InChIInChI=1S/C45H86N6/c1-40(2,3)48-28-18-44(19-29-48)15-25-46(26-16-44)35-38-14-24-51(42(7,8)9)39(32-38)33-43(10,11)50-22-12-37(13-23-50)34-47-27-17-45(36-47)20-30-49(31-21-45)41(4,5)6/h37-39H,12-36H2,1-11H3
InChIKeyOTBQTJXNZIKVPX-UHFFFAOYSA-N
MW711.23 g/mol
LogP8.31
Rot. Bonds7

About 3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane

3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 146548378) has the molecular formula C45H86N6 and a molecular weight of 711.23 g/mol. Its IUPAC name is 3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane
PubChem CID146548378
Molecular FormulaC45H86N6
Molecular Weight711.23 g/mol
Exact Mass710.69
IUPAC Name3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CCN(CC3CCN(C(C)(C)C)C(CC(C)(C)N4CCC(CN5CCC6(CCN(C(C)(C)C)CC6)C5)CC4)C3)CC2)CC1
InChIInChI=1S/C45H86N6/c1-40(2,3)48-28-18-44(19-29-48)15-25-46(26-16-44)35-38-14-24-51(42(7,8)9)39(32-38)33-43(10,11)50-22-12-37(13-23-50)34-47-27-17-45(36-47)20-30-49(31-21-45)41(4,5)6/h37-39H,12-36H2,1-11H3
InChIKeyOTBQTJXNZIKVPX-UHFFFAOYSA-N
XLogP8.31
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.23
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane (CID 146548378) is 3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane is CC(C)(C)N1CCC2(CCN(CC3CCN(C(C)(C)C)C(CC(C)(C)N4CCC(CN5CCC6(CCN(C(C)(C)C)CC6)C5)CC4)C3)CC2)CC1.
What is the InChIKey of 3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is OTBQTJXNZIKVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H86N6/c1-40(2,3)48-28-18-44(19-29-48)15-25-46(26-16-44)35-38-14-24-51(42(7,8)9)39(32-38)33-43(10,11)50-22-12-37(13-23-50)34-47-27-17-45(36-47)20-30-49(31-21-45)41(4,5)6/h37-39H,12-36H2,1-11H3.
What are the key properties of 3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane?
3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 711.23 g/mol, XLogP of 8.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 146548378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).