1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone

C16H21NO3 — CID 6464395

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H21NO3/c1-13-3-2-4-14(11-13)12-15(18)17-7-5-16(6-8-17)19-9-10-20-16/h2-4,11H,5-10,12H2,1H3
InChIKeySASFGOLCSDOJNM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.90
Rot. Bonds2

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone (PubChem CID 6464395) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone
PubChem CID6464395
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H21NO3/c1-13-3-2-4-14(11-13)12-15(18)17-7-5-16(6-8-17)19-9-10-20-16/h2-4,11H,5-10,12H2,1H3
InChIKeySASFGOLCSDOJNM-UHFFFAOYSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone (CID 6464395) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is SASFGOLCSDOJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-13-3-2-4-14(11-13)12-15(18)17-7-5-16(6-8-17)19-9-10-20-16/h2-4,11H,5-10,12H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone has a molecular weight of 275.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 6464395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).