2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone

C19H34N2O2 — CID 102558005

IUPAC2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCOC1CC(N(C)CC(=O)N2CCC(C)CC2)C12CCCC2
InChIInChI=1S/C19H34N2O2/c1-4-23-17-13-16(19(17)9-5-6-10-19)20(3)14-18(22)21-11-7-15(2)8-12-21/h15-17H,4-14H2,1-3H3
InChIKeyWQFOKVOVJGKYKI-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.91
Rot. Bonds5

About 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone

2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 102558005) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID102558005
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCOC1CC(N(C)CC(=O)N2CCC(C)CC2)C12CCCC2
InChIInChI=1S/C19H34N2O2/c1-4-23-17-13-16(19(17)9-5-6-10-19)20(3)14-18(22)21-11-7-15(2)8-12-21/h15-17H,4-14H2,1-3H3
InChIKeyWQFOKVOVJGKYKI-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone (CID 102558005) is 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone is CCOC1CC(N(C)CC(=O)N2CCC(C)CC2)C12CCCC2.
What is the InChIKey of 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is WQFOKVOVJGKYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-4-23-17-13-16(19(17)9-5-6-10-19)20(3)14-18(22)21-11-7-15(2)8-12-21/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 322.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyspiro[3.4]octan-1-yl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 102558005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).