(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone

C17H32N2O2 — CID 66256555

IUPAC(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCC(CC)(CC)CC1
InChIInChI=1S/C17H32N2O2/c1-4-9-18-15-13-21-12-14(15)16(20)19-10-7-17(5-2,6-3)8-11-19/h14-15,18H,4-13H2,1-3H3
InChIKeyFHSYTBYUIAITPP-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.43
Rot. Bonds6

About (4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone

(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 66256555) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID66256555
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCC(CC)(CC)CC1
InChIInChI=1S/C17H32N2O2/c1-4-9-18-15-13-21-12-14(15)16(20)19-10-7-17(5-2,6-3)8-11-19/h14-15,18H,4-13H2,1-3H3
InChIKeyFHSYTBYUIAITPP-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone (CID 66256555) is (4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)N1CCC(CC)(CC)CC1.
What is the InChIKey of (4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is FHSYTBYUIAITPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-9-18-15-13-21-12-14(15)16(20)19-10-7-17(5-2,6-3)8-11-19/h14-15,18H,4-13H2,1-3H3.
What are the key properties of (4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone?
(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 296.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 66256555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).