1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone

C14H23NO3 — CID 78917556

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCC3(CC2)OCCO3)CCCC1
InChIInChI=1S/C14H23NO3/c1-13(4-2-3-5-13)12(16)15-8-6-14(7-9-15)17-10-11-18-14/h2-11H2,1H3
InChIKeyUKZLPWRCIJODJT-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.93
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone (PubChem CID 78917556) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone
PubChem CID78917556
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCC3(CC2)OCCO3)CCCC1
InChIInChI=1S/C14H23NO3/c1-13(4-2-3-5-13)12(16)15-8-6-14(7-9-15)17-10-11-18-14/h2-11H2,1H3
InChIKeyUKZLPWRCIJODJT-UHFFFAOYSA-N
XLogP1.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396
4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide
CID 107161141
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid
CID 69088167
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979
4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid
CID 68759041
methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 110396649
2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 13018232
ethyl 4-[1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978481
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959851
[4-(2-bromoethyl)piperazin-1-yl]-(1-methylcyclopentyl)methanone
CID 80660920

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone (CID 78917556) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone is CC1(C(=O)N2CCC3(CC2)OCCO3)CCCC1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone?
The InChIKey is UKZLPWRCIJODJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(4-2-3-5-13)12(16)15-8-6-14(7-9-15)17-10-11-18-14/h2-11H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone has a molecular weight of 253.34 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone is sourced from PubChem (CID 78917556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).