3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one

C16H23N3O3 — CID 82098655

IUPAC3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCOc1ccc(OCCN2CC3(CCNCC3)NC2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-21-13-2-4-14(5-3-13)22-11-10-19-12-16(18-15(19)20)6-8-17-9-7-16/h2-5,17H,6-12H2,1H3,(H,18,20)
InChIKeyPYKDTHYYIRBICH-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.22
Rot. Bonds5

About 3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one

3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 82098655) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID82098655
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCOc1ccc(OCCN2CC3(CCNCC3)NC2=O)cc1
InChIInChI=1S/C16H23N3O3/c1-21-13-2-4-14(5-3-13)22-11-10-19-12-16(18-15(19)20)6-8-17-9-7-16/h2-5,17H,6-12H2,1H3,(H,18,20)
InChIKeyPYKDTHYYIRBICH-UHFFFAOYSA-N
XLogP1.22
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098653
3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
CID 155655261
3-[(2-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098641
4-[3-(4-methoxyphenoxy)propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride
CID 154914796
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130200574
2-(2-methoxyethyl)-9-[2-(4-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733806
1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one
CID 104601295
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 119694181
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
(3S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702763
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one (CID 82098655) is 3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one is COc1ccc(OCCN2CC3(CCNCC3)NC2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is PYKDTHYYIRBICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-21-13-2-4-14(5-3-13)22-11-10-19-12-16(18-15(19)20)6-8-17-9-7-16/h2-5,17H,6-12H2,1H3,(H,18,20).
What are the key properties of 3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one?
3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 305.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 82098655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).