3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione

C17H28N2O2 — CID 43804792

IUPAC3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC(C1CCCNC1)N1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C17H28N2O2/c1-13(14-6-5-9-18-12-14)19-15(20)10-17(11-16(19)21)7-3-2-4-8-17/h13-14,18H,2-12H2,1H3
InChIKeyXDIFGZVYVKEIRE-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds2

About 3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione

3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 43804792) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID43804792
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC(C1CCCNC1)N1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C17H28N2O2/c1-13(14-6-5-9-18-12-14)19-15(20)10-17(11-16(19)21)7-3-2-4-8-17/h13-14,18H,2-12H2,1H3
InChIKeyXDIFGZVYVKEIRE-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(1-piperidin-3-ylethyl)thiomorpholine-3,5-dione
CID 104570979
3-(1-piperidin-3-ylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102689745
2-(1-piperidin-4-ylethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43523550
1-(1-piperidin-3-ylethyl)piperidin-2-one
CID 43523151
1-(1-piperidin-4-ylethyl)azepane-2,7-dione
CID 43523546
3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane
CID 81047442
2-propan-2-yl-2,10-diazaspiro[4.6]undecan-3-one
CID 105464444
2-propan-2-yl-2,9-diazaspiro[4.5]decan-3-one
CID 84667102
8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
CID 114010142
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid
CID 61071116
1-(2-phenyl-1-piperidin-3-ylpropyl)-3,4-dihydroquinolin-2-one
CID 152744549
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione (CID 43804792) is 3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione is CC(C1CCCNC1)N1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is XDIFGZVYVKEIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(14-6-5-9-18-12-14)19-15(20)10-17(11-16(19)21)7-3-2-4-8-17/h13-14,18H,2-12H2,1H3.
What are the key properties of 3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione?
3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 292.42 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 43804792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).