[4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone

C19H28N2O3 — CID 97232801

IUPAC[4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCCO[C@H]1C[C@H](NC2CCN(C(=O)c3ccoc3)CC2)C12CCC2
InChIInChI=1S/C19H28N2O3/c1-2-24-17-12-16(19(17)7-3-8-19)20-15-4-9-21(10-5-15)18(22)14-6-11-23-13-14/h6,11,13,15-17,20H,2-5,7-10,12H2,1H3/t16-,17-/m0/s1
InChIKeyDBTIPYQAEHEJAV-IRXDYDNUSA-N
MW332.44 g/mol
LogP2.82
Rot. Bonds5

About [4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone

[4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 97232801) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID97232801
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCCO[C@H]1C[C@H](NC2CCN(C(=O)c3ccoc3)CC2)C12CCC2
InChIInChI=1S/C19H28N2O3/c1-2-24-17-12-16(19(17)7-3-8-19)20-15-4-9-21(10-5-15)18(22)14-6-11-23-13-14/h6,11,13,15-17,20H,2-5,7-10,12H2,1H3/t16-,17-/m0/s1
InChIKeyDBTIPYQAEHEJAV-IRXDYDNUSA-N
XLogP2.82
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 75383332
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
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(furan-3-yl)methanone
CID 72865603
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295433
ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 86835731
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451
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

Frequently Asked Questions

What is the IUPAC name of [4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone (CID 97232801) is [4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone is CCO[C@H]1C[C@H](NC2CCN(C(=O)c3ccoc3)CC2)C12CCC2.
What is the InChIKey of [4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is DBTIPYQAEHEJAV-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-24-17-12-16(19(17)7-3-8-19)20-15-4-9-21(10-5-15)18(22)14-6-11-23-13-14/h6,11,13,15-17,20H,2-5,7-10,12H2,1H3/t16-,17-/m0/s1.
What are the key properties of [4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
[4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 332.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97232801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).