butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol

C24H49N3O2 — CID 168901186

IUPACbutane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol
SMILESCC.CCCC.CN1CCC(CN2CCN(CC3CC(O)C3)CC23COC3)CC1
InChIInChI=1S/C18H33N3O2.C4H10.C2H6/c1-19-4-2-15(3-5-19)11-21-7-6-20(10-16-8-17(22)9-16)12-18(21)13-23-14-18;1-3-4-2;1-2/h15-17,22H,2-14H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeyYWLFTGYQSGSHBU-UHFFFAOYSA-N
MW411.68 g/mol
LogP3.32
Rot. Bonds5

About butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol

butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol (PubChem CID 168901186) has the molecular formula C24H49N3O2 and a molecular weight of 411.68 g/mol. Its IUPAC name is butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Namebutane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol
PubChem CID168901186
Molecular FormulaC24H49N3O2
Molecular Weight411.68 g/mol
Exact Mass411.38
IUPAC Namebutane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol
SMILESCC.CCCC.CN1CCC(CN2CCN(CC3CC(O)C3)CC23COC3)CC1
InChIInChI=1S/C18H33N3O2.C4H10.C2H6/c1-19-4-2-15(3-5-19)11-21-7-6-20(10-16-8-17(22)9-16)12-18(21)13-23-14-18;1-3-4-2;1-2/h15-17,22H,2-14H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeyYWLFTGYQSGSHBU-UHFFFAOYSA-N
XLogP3.32
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol?
The IUPAC name of butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol (CID 168901186) is butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol.
What is the SMILES notation for butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol?
The canonical SMILES for butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol is CC.CCCC.CN1CCC(CN2CCN(CC3CC(O)C3)CC23COC3)CC1.
What is the InChIKey of butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol?
The InChIKey is YWLFTGYQSGSHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2.C4H10.C2H6/c1-19-4-2-15(3-5-19)11-21-7-6-20(10-16-8-17(22)9-16)12-18(21)13-23-14-18;1-3-4-2;1-2/h15-17,22H,2-14H2,1H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol?
butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol has a molecular weight of 411.68 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol is sourced from PubChem (CID 168901186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).