6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone

C18H31NO2 — CID 116569668

IUPAC6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)C2CCOC3(CCCC3)C2)CCCNC1
InChIInChI=1S/C18H31NO2/c1-2-7-17(8-5-11-19-14-17)16(20)15-6-12-21-18(13-15)9-3-4-10-18/h15,19H,2-14H2,1H3
InChIKeyNLFZUVCNEPGTFP-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.46
Rot. Bonds4

About 6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone

6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone (PubChem CID 116569668) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone
PubChem CID116569668
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)C2CCOC3(CCCC3)C2)CCCNC1
InChIInChI=1S/C18H31NO2/c1-2-7-17(8-5-11-19-14-17)16(20)15-6-12-21-18(13-15)9-3-4-10-18/h15,19H,2-14H2,1H3
InChIKeyNLFZUVCNEPGTFP-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone
CID 116569810
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylpiperidin-4-yl)methanone
CID 116569138
cyclopropyl-(3-propylpyrrolidin-3-yl)methanone
CID 116570693
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116747845
oxolan-3-yl 3-propylpiperidine-3-carboxylate
CID 55212942
(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116748384
2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 103446684
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
1-(3-propylpiperidin-3-yl)but-3-yn-1-one
CID 116569591
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699

Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of 6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone (CID 116569668) is 6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for 6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for 6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)C2CCOC3(CCCC3)C2)CCCNC1.
What is the InChIKey of 6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone?
The InChIKey is NLFZUVCNEPGTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-2-7-17(8-5-11-19-14-17)16(20)15-6-12-21-18(13-15)9-3-4-10-18/h15,19H,2-14H2,1H3.
What are the key properties of 6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone?
6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone has a molecular weight of 293.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[4.5]decan-9-yl-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).