ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone

C20H38N2O2 — CID 177010787

IUPACethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone
SMILESCC.CCC1CCN(CC(=O)N2CC3(CC(OC(C)C)C3)C2)CC1
InChIInChI=1S/C18H32N2O2.C2H6/c1-4-15-5-7-19(8-6-15)11-17(21)20-12-18(13-20)9-16(10-18)22-14(2)3;1-2/h14-16H,4-13H2,1-3H3;1-2H3
InChIKeyRDXCIPXDYMZASC-UHFFFAOYSA-N
MW338.54 g/mol
LogP3.55
Rot. Bonds5

About ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone

ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone (PubChem CID 177010787) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone.

Molecular Properties

Compound Nameethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone
PubChem CID177010787
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Nameethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone
SMILESCC.CCC1CCN(CC(=O)N2CC3(CC(OC(C)C)C3)C2)CC1
InChIInChI=1S/C18H32N2O2.C2H6/c1-4-15-5-7-19(8-6-15)11-17(21)20-12-18(13-20)9-16(10-18)22-14(2)3;1-2/h14-16H,4-13H2,1-3H3;1-2H3
InChIKeyRDXCIPXDYMZASC-UHFFFAOYSA-N
XLogP3.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156799298
ethane;1-(4-ethylpiperazin-1-yl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 162725519
2-(4-ethylpiperidin-1-yl)-1-(4-methyliodanuidylpiperidin-1-yl)ethanone
CID 177001050
1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone
CID 67583660
1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 176984404
2-[4-(cyclobutylmethyl)piperazin-1-yl]-1-(6-methyl-2-azaspiro[3.3]heptan-2-yl)ethanone
CID 167550936
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79322433
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63847542
2-(4-ethylpiperidin-1-yl)acetamide
CID 23381133
ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone
CID 176985365

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone?
The IUPAC name of ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone (CID 177010787) is ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone.
What is the SMILES notation for ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone?
The canonical SMILES for ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone is CC.CCC1CCN(CC(=O)N2CC3(CC(OC(C)C)C3)C2)CC1.
What is the InChIKey of ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone?
The InChIKey is RDXCIPXDYMZASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2.C2H6/c1-4-15-5-7-19(8-6-15)11-17(21)20-12-18(13-20)9-16(10-18)22-14(2)3;1-2/h14-16H,4-13H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone?
ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone has a molecular weight of 338.54 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-ethylpiperidin-1-yl)-1-(6-propan-2-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone is sourced from PubChem (CID 177010787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).