1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone

C16H28N2O — CID 176968361

IUPAC1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCC(N3CCC(C)CC3)CC2)C1
InChIInChI=1S/C16H28N2O/c1-13-5-9-17(10-6-13)15-3-7-16(8-4-15)11-18(12-16)14(2)19/h13,15H,3-12H2,1-2H3
InChIKeyYSDNVERXWZSGEO-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.51
Rot. Bonds1

About 1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone

1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 176968361) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone
PubChem CID176968361
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone
SMILESCC(=O)N1CC2(CCC(N3CCC(C)CC3)CC2)C1
InChIInChI=1S/C16H28N2O/c1-13-5-9-17(10-6-13)15-3-7-16(8-4-15)11-18(12-16)14(2)19/h13,15H,3-12H2,1-2H3
InChIKeyYSDNVERXWZSGEO-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone (CID 176968361) is 1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone is CC(=O)N1CC2(CCC(N3CCC(C)CC3)CC2)C1.
What is the InChIKey of 1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is YSDNVERXWZSGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-5-9-17(10-6-13)15-3-7-16(8-4-15)11-18(12-16)14(2)19/h13,15H,3-12H2,1-2H3.
What are the key properties of 1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone?
1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 264.41 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 176968361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).