2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H30N2O3 — CID 72856189

IUPAC2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)C3CCCCO3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H30N2O3/c25-20-9-10-22(17-24(20)16-18-6-2-1-3-7-18)11-13-23(14-12-22)21(26)19-8-4-5-15-27-19/h1-3,6-7,19H,4-5,8-17H2
InChIKeyWGPPOCUJQIMSFX-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.99
Rot. Bonds3

About 2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72856189) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72856189
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)C3CCCCO3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H30N2O3/c25-20-9-10-22(17-24(20)16-18-6-2-1-3-7-18)11-13-23(14-12-22)21(26)19-8-4-5-15-27-19/h1-3,6-7,19H,4-5,8-17H2
InChIKeyWGPPOCUJQIMSFX-UHFFFAOYSA-N
XLogP2.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97124416
2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136898
2-benzyl-9-[(4S)-1-methyl-2-oxoimidazolidine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97135499
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
2-[2-(1H-imidazol-5-yl)ethyl]-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72921955
2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97127014
2-benzyl-9-[(2S)-2-methylsulfanylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152355
2-benzyl-9-(2-ethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72911476
2-benzyl-9-[3-(dimethylamino)-2-methylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72937334
2-benzyl-9-(2-ethylsulfanylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72922405
2-benzyl-9-(2-propoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72847825
2-benzyl-8-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97277141

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72856189) is 2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C(=O)C3CCCCO3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WGPPOCUJQIMSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c25-20-9-10-22(17-24(20)16-18-6-2-1-3-7-18)11-13-23(14-12-22)21(26)19-8-4-5-15-27-19/h1-3,6-7,19H,4-5,8-17H2.
What are the key properties of 2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 370.49 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72856189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).