1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone

C22H27NO3 — CID 135096486

IUPAC1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
SMILESCC1(O)CCOC2(CCN(C(=O)Cc3ccc4ccccc4c3)CC2)C1
InChIInChI=1S/C22H27NO3/c1-21(25)10-13-26-22(16-21)8-11-23(12-9-22)20(24)15-17-6-7-18-4-2-3-5-19(18)14-17/h2-7,14,25H,8-13,15-16H2,1H3
InChIKeyNZGUYEPMEHLMKW-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.30
Rot. Bonds2

About 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone

1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone (PubChem CID 135096486) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
PubChem CID135096486
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
SMILESCC1(O)CCOC2(CCN(C(=O)Cc3ccc4ccccc4c3)CC2)C1
InChIInChI=1S/C22H27NO3/c1-21(25)10-13-26-22(16-21)8-11-23(12-9-22)20(24)15-17-6-7-18-4-2-3-5-19(18)14-17/h2-7,14,25H,8-13,15-16H2,1H3
InChIKeyNZGUYEPMEHLMKW-UHFFFAOYSA-N
XLogP3.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 163308760
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 110156877
1-[2-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyridin-2-one
CID 164689718
1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666
2-(3,4-dimethylphenoxy)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 135103708
(2R)-2-methyl-4-(2-naphthalen-2-ylacetyl)morpholine-2-carboxamide
CID 124986005
1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone
CID 125025689
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-naphthalen-2-ylethanone
CID 124983809
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 163313170
1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 91792475
4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide
CID 135094171

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone (CID 135096486) is 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone is CC1(O)CCOC2(CCN(C(=O)Cc3ccc4ccccc4c3)CC2)C1.
What is the InChIKey of 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone?
The InChIKey is NZGUYEPMEHLMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-21(25)10-13-26-22(16-21)8-11-23(12-9-22)20(24)15-17-6-7-18-4-2-3-5-19(18)14-17/h2-7,14,25H,8-13,15-16H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone?
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone has a molecular weight of 353.46 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone is sourced from PubChem (CID 135096486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).