[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone

C20H30N2O3 — CID 75383332

IUPAC[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCCOC1CC(NC2CCN(C(=O)c3ccoc3)CC2)C12CCCC2
InChIInChI=1S/C20H30N2O3/c1-2-25-18-13-17(20(18)8-3-4-9-20)21-16-5-10-22(11-6-16)19(23)15-7-12-24-14-15/h7,12,14,16-18,21H,2-6,8-11,13H2,1H3
InChIKeyJMMMPHIQOSZZMB-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.21
Rot. Bonds5

About [4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone

[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 75383332) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID75383332
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCCOC1CC(NC2CCN(C(=O)c3ccoc3)CC2)C12CCCC2
InChIInChI=1S/C20H30N2O3/c1-2-25-18-13-17(20(18)8-3-4-9-20)21-16-5-10-22(11-6-16)19(23)15-7-12-24-14-15/h7,12,14,16-18,21H,2-6,8-11,13H2,1H3
InChIKeyJMMMPHIQOSZZMB-UHFFFAOYSA-N
XLogP3.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone with MolForge

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Related Compounds

[4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 75383308
[4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 97232801
4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidine-1-carboxamide
CID 97232797
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451
ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 86835731
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(furan-3-yl)methanone
CID 72865603
furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone
CID 99700469
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 46451709

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone (CID 75383332) is [4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone is CCOC1CC(NC2CCN(C(=O)c3ccoc3)CC2)C12CCCC2.
What is the InChIKey of [4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is JMMMPHIQOSZZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-25-18-13-17(20(18)8-3-4-9-20)21-16-5-10-22(11-6-16)19(23)15-7-12-24-14-15/h7,12,14,16-18,21H,2-6,8-11,13H2,1H3.
What are the key properties of [4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone?
[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 346.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 75383332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).