1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone

C17H24N2O2 — CID 97449072

IUPAC1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
SMILESCN1CCO[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1
InChIInChI=1S/C17H24N2O2/c1-18-10-11-21-17(13-18)8-5-9-19(14-17)16(20)12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t17-/m1/s1
InChIKeyCPNRZYXOOHRVHW-QGZVFWFLSA-N
MW288.39 g/mol
LogP1.55
Rot. Bonds2

About 1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone

1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone (PubChem CID 97449072) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
PubChem CID97449072
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
SMILESCN1CCO[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1
InChIInChI=1S/C17H24N2O2/c1-18-10-11-21-17(13-18)8-5-9-19(14-17)16(20)12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t17-/m1/s1
InChIKeyCPNRZYXOOHRVHW-QGZVFWFLSA-N
XLogP1.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156
1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone
CID 134790728
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
1-[(6S)-4-benzylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 95043176
(4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 134073617
1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone
CID 134072862
1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 134077394
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 138380259
1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone
CID 118745338
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-[9-(2-ethyl-6-methylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-phenylethanone
CID 131913030

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone?
The IUPAC name of 1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone (CID 97449072) is 1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone?
The canonical SMILES for 1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone is CN1CCO[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1.
What is the InChIKey of 1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone?
The InChIKey is CPNRZYXOOHRVHW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-10-11-21-17(13-18)8-5-9-19(14-17)16(20)12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone?
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone has a molecular weight of 288.39 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone is sourced from PubChem (CID 97449072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).