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

C17H30N2O2 — CID 64864624

IUPAC1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone
SMILESCCOC1CC(NC2CCN(C(C)=O)CC2)C12CCCC2
InChIInChI=1S/C17H30N2O2/c1-3-21-16-12-15(17(16)8-4-5-9-17)18-14-6-10-19(11-7-14)13(2)20/h14-16,18H,3-12H2,1-2H3
InChIKeyNTBIGVYAJZJPMF-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.32
Rot. Bonds4

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

1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone (PubChem CID 64864624) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone
PubChem CID64864624
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone
SMILESCCOC1CC(NC2CCN(C(C)=O)CC2)C12CCCC2
InChIInChI=1S/C17H30N2O2/c1-3-21-16-12-15(17(16)8-4-5-9-17)18-14-6-10-19(11-7-14)13(2)20/h14-16,18H,3-12H2,1-2H3
InChIKeyNTBIGVYAJZJPMF-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.32
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]ethanone?
The IUPAC name of 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone (CID 64864624) is 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone is CCOC1CC(NC2CCN(C(C)=O)CC2)C12CCCC2.
What is the InChIKey of 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is NTBIGVYAJZJPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-21-16-12-15(17(16)8-4-5-9-17)18-14-6-10-19(11-7-14)13(2)20/h14-16,18H,3-12H2,1-2H3.
What are the key properties of 1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(3-ethoxyspiro[3.4]octan-1-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 294.44 g/mol, XLogP of 2.32, 4 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]ethanone is sourced from PubChem (CID 64864624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).