2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one

C17H31N3O — CID 83253349

IUPAC2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCN1CCC(N2C(=O)C3(CCCC3)NC2CC)CC1
InChIInChI=1S/C17H31N3O/c1-3-11-19-12-7-14(8-13-19)20-15(4-2)18-17(16(20)21)9-5-6-10-17/h14-15,18H,3-13H2,1-2H3
InChIKeyRMTWMUWQUIYJBR-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.34
Rot. Bonds4

About 2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one

2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83253349) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83253349
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCN1CCC(N2C(=O)C3(CCCC3)NC2CC)CC1
InChIInChI=1S/C17H31N3O/c1-3-11-19-12-7-14(8-13-19)20-15(4-2)18-17(16(20)21)9-5-6-10-17/h14-15,18H,3-13H2,1-2H3
InChIKeyRMTWMUWQUIYJBR-UHFFFAOYSA-N
XLogP2.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83253349) is 2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one is CCCN1CCC(N2C(=O)C3(CCCC3)NC2CC)CC1.
What is the InChIKey of 2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is RMTWMUWQUIYJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-11-19-12-7-14(8-13-19)20-15(4-2)18-17(16(20)21)9-5-6-10-17/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one?
2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 293.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83253349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).