4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C20H36N4O — CID 70731372

IUPAC4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESC=CCN1CCC2(CCC1=O)CN(C1CCN(CC)CC1)CCN2C
InChIInChI=1S/C20H36N4O/c1-4-11-23-14-10-20(9-6-19(23)25)17-24(16-15-21(20)3)18-7-12-22(5-2)13-8-18/h4,18H,1,5-17H2,2-3H3
InChIKeyHBLCDBAKKRPVMC-UHFFFAOYSA-N
MW348.54 g/mol
LogP1.66
Rot. Bonds4

About 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70731372) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70731372
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESC=CCN1CCC2(CCC1=O)CN(C1CCN(CC)CC1)CCN2C
InChIInChI=1S/C20H36N4O/c1-4-11-23-14-10-20(9-6-19(23)25)17-24(16-15-21(20)3)18-7-12-22(5-2)13-8-18/h4,18H,1,5-17H2,2-3H3
InChIKeyHBLCDBAKKRPVMC-UHFFFAOYSA-N
XLogP1.66
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70731372) is 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is C=CCN1CCC2(CCC1=O)CN(C1CCN(CC)CC1)CCN2C.
What is the InChIKey of 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is HBLCDBAKKRPVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c1-4-11-23-14-10-20(9-6-19(23)25)17-24(16-15-21(20)3)18-7-12-22(5-2)13-8-18/h4,18H,1,5-17H2,2-3H3.
What are the key properties of 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 348.54 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70731372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).