1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one

C18H31N3O2 — CID 118738776

IUPAC1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC(=O)N1CCC2(CCCN(C(=O)CCN3CCCCC3)C2)C1
InChIInChI=1S/C18H31N3O2/c1-16(22)20-13-8-18(14-20)7-5-11-21(15-18)17(23)6-12-19-9-3-2-4-10-19/h2-15H2,1H3
InChIKeyPQACMLBIMGCAKK-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.72
Rot. Bonds3

About 1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one

1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 118738776) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID118738776
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC(=O)N1CCC2(CCCN(C(=O)CCN3CCCCC3)C2)C1
InChIInChI=1S/C18H31N3O2/c1-16(22)20-13-8-18(14-20)7-5-11-21(15-18)17(23)6-12-19-9-3-2-4-10-19/h2-15H2,1H3
InChIKeyPQACMLBIMGCAKK-UHFFFAOYSA-N
XLogP1.72
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one (CID 118738776) is 1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one is CC(=O)N1CCC2(CCCN(C(=O)CCN3CCCCC3)C2)C1.
What is the InChIKey of 1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is PQACMLBIMGCAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-16(22)20-13-8-18(14-20)7-5-11-21(15-18)17(23)6-12-19-9-3-2-4-10-19/h2-15H2,1H3.
What are the key properties of 1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one?
1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 321.47 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 118738776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).