2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one

C14H18N2O2 — CID 165471452

IUPAC2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
SMILESO=C1NCCC2(CCN(Cc3ccccc3)C2)O1
InChIInChI=1S/C14H18N2O2/c17-13-15-8-6-14(18-13)7-9-16(11-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,17)
InChIKeyFLCXKOLDQLTHSW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.76
Rot. Bonds2

About 2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one

2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one (PubChem CID 165471452) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
PubChem CID165471452
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
SMILESO=C1NCCC2(CCN(Cc3ccccc3)C2)O1
InChIInChI=1S/C14H18N2O2/c17-13-15-8-6-14(18-13)7-9-16(11-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,17)
InChIKeyFLCXKOLDQLTHSW-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
(5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one
CID 97289840
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
1'-benzylspiro[5,6-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-7-carboxylic acid
CID 91241746
8-benzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814236
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
1'-benzyl-7-(trifluoromethyl)spiro[4,5-dihydro-3H-1,5-benzoxazepine-2,4'-piperidine]
CID 72699001
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
CID 83823846
(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 28881549
2-benzyl-2,6-diazaspiro[4.5]decan-9-one
CID 22291215
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one?
The IUPAC name of 2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one (CID 165471452) is 2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for 2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one?
The canonical SMILES for 2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one is O=C1NCCC2(CCN(Cc3ccccc3)C2)O1.
What is the InChIKey of 2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one?
The InChIKey is FLCXKOLDQLTHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13-15-8-6-14(18-13)7-9-16(11-14)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,17).
What are the key properties of 2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one?
2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one has a molecular weight of 246.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 165471452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).