2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone

C17H29NO3 — CID 116569138

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)C2CCOC3(CCOC3)C2)CCNCC1
InChIInChI=1S/C17H29NO3/c1-2-4-16(5-8-18-9-6-16)15(19)14-3-10-21-17(12-14)7-11-20-13-17/h14,18H,2-13H2,1H3
InChIKeyQTADQKFHTCBZKV-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.31
Rot. Bonds4

About 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone

2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone (PubChem CID 116569138) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone
PubChem CID116569138
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)C2CCOC3(CCOC3)C2)CCNCC1
InChIInChI=1S/C17H29NO3/c1-2-4-16(5-8-18-9-6-16)15(19)14-3-10-21-17(12-14)7-11-20-13-17/h14,18H,2-13H2,1H3
InChIKeyQTADQKFHTCBZKV-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone
CID 116569668
cyclopentyl-(4-propylpiperidin-4-yl)methanone
CID 116569037
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-3-ylethanone
CID 116583410
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
CID 103447799
(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116550493
cyclopropyl-(3-propylpyrrolidin-3-yl)methanone
CID 116570693
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylpyrrolidin-3-yl)methanone
CID 116592083
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-piperidin-4-ylpropan-1-one
CID 116563375

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone (CID 116569138) is 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)C2CCOC3(CCOC3)C2)CCNCC1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone?
The InChIKey is QTADQKFHTCBZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-4-16(5-8-18-9-6-16)15(19)14-3-10-21-17(12-14)7-11-20-13-17/h14,18H,2-13H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone?
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone has a molecular weight of 295.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 116569138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).