3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one

C16H23N3O2 — CID 82098653

IUPAC3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCc1cccc(OCCN2CC3(CCNCC3)NC2=O)c1
InChIInChI=1S/C16H23N3O2/c1-13-3-2-4-14(11-13)21-10-9-19-12-16(18-15(19)20)5-7-17-8-6-16/h2-4,11,17H,5-10,12H2,1H3,(H,18,20)
InChIKeyWOGOHAMPWOCTAP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.52
Rot. Bonds4

About 3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one

3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 82098653) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID82098653
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCc1cccc(OCCN2CC3(CCNCC3)NC2=O)c1
InChIInChI=1S/C16H23N3O2/c1-13-3-2-4-14(11-13)21-10-9-19-12-16(18-15(19)20)5-7-17-8-6-16/h2-4,11,17H,5-10,12H2,1H3,(H,18,20)
InChIKeyWOGOHAMPWOCTAP-UHFFFAOYSA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098655
1-[2-(3-methylphenoxy)ethyl]piperazin-2-one
CID 64564764
8-ethyl-3-[2-(3-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180837
4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 82092614
5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 112774676
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 119695687
5-[2-(3-methylphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916021
1-[2-[2-(3-methylphenoxy)ethylamino]ethyl]imidazolidin-2-one
CID 55013001
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
9-[2-(3-methylphenoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62712519

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one (CID 82098653) is 3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one is Cc1cccc(OCCN2CC3(CCNCC3)NC2=O)c1.
What is the InChIKey of 3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is WOGOHAMPWOCTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13-3-2-4-14(11-13)21-10-9-19-12-16(18-15(19)20)5-7-17-8-6-16/h2-4,11,17H,5-10,12H2,1H3,(H,18,20).
What are the key properties of 3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 82098653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).