1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one

C18H32N2O2 — CID 71921286

IUPAC1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one
SMILESCCOC1CC(NC2CCN(C(=O)CC)CC2)C12CCCC2
InChIInChI=1S/C18H32N2O2/c1-3-17(21)20-11-7-14(8-12-20)19-15-13-16(22-4-2)18(15)9-5-6-10-18/h14-16,19H,3-13H2,1-2H3
InChIKeyUYDFENUBHRAVCZ-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.71
Rot. Bonds5

About 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one

1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 71921286) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one
PubChem CID71921286
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one
SMILESCCOC1CC(NC2CCN(C(=O)CC)CC2)C12CCCC2
InChIInChI=1S/C18H32N2O2/c1-3-17(21)20-11-7-14(8-12-20)19-15-13-16(22-4-2)18(15)9-5-6-10-18/h14-16,19H,3-13H2,1-2H3
InChIKeyUYDFENUBHRAVCZ-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one (CID 71921286) is 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one is CCOC1CC(NC2CCN(C(=O)CC)CC2)C12CCCC2.
What is the InChIKey of 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is UYDFENUBHRAVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-3-17(21)20-11-7-14(8-12-20)19-15-13-16(22-4-2)18(15)9-5-6-10-18/h14-16,19H,3-13H2,1-2H3.
What are the key properties of 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one?
1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 308.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71921286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).