(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one

C14H21NO4 — CID 10801787

IUPAC(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one
SMILESO=C1CCC[C@@H](C(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H21NO4/c16-12-3-1-2-11(10-12)13(17)15-6-4-14(5-7-15)18-8-9-19-14/h11H,1-10H2/t11-/m1/s1
InChIKeyWFZQQZOBZOOJLT-LLVKDONJSA-N
MW267.32 g/mol
LogP1.11
Rot. Bonds1

About (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one

(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one (PubChem CID 10801787) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one
PubChem CID10801787
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one
SMILESO=C1CCC[C@@H](C(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H21NO4/c16-12-3-1-2-11(10-12)13(17)15-6-4-14(5-7-15)18-8-9-19-14/h11H,1-10H2/t11-/m1/s1
InChIKeyWFZQQZOBZOOJLT-LLVKDONJSA-N
XLogP1.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one with MolForge

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Related Compounds

Cyclopentyl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 39992347
Cyclohexyl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 24285042
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 60507725
(4,4-Difluorocyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 81931312
2-Cyclopentyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 39992462
3-Cyclopentyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 39992465
3-Cyclohexyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 40142618
2-Cyclohexyl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 45809460
(4-Butylcyclohexyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 52572456
Cyclohexyl-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 56349083
Cycloheptyl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78917328
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(4-methylcyclohexyl)methanone
CID 79005492

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one?
The IUPAC name of (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one (CID 10801787) is (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one.
What is the SMILES notation for (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one?
The canonical SMILES for (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one is O=C1CCC[C@@H](C(=O)N2CCC3(CC2)OCCO3)C1.
What is the InChIKey of (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one?
The InChIKey is WFZQQZOBZOOJLT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO4/c16-12-3-1-2-11(10-12)13(17)15-6-4-14(5-7-15)18-8-9-19-14/h11H,1-10H2/t11-/m1/s1.
What are the key properties of (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one?
(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one has a molecular weight of 267.32 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclohexan-1-one is sourced from PubChem (CID 10801787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).