2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H32N2O2 — CID 97136898

IUPAC2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C[C@H]3CCCCO3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H32N2O2/c25-21-9-10-22(18-24(21)16-19-6-2-1-3-7-19)11-13-23(14-12-22)17-20-8-4-5-15-26-20/h1-3,6-7,20H,4-5,8-18H2/t20-/m1/s1
InChIKeyDJLBSKHSJBEFGH-HXUWFJFHSA-N
MW356.51 g/mol
LogP3.46
Rot. Bonds4

About 2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97136898) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97136898
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C[C@H]3CCCCO3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H32N2O2/c25-21-9-10-22(18-24(21)16-19-6-2-1-3-7-19)11-13-23(14-12-22)17-20-8-4-5-15-26-20/h1-3,6-7,20H,4-5,8-18H2/t20-/m1/s1
InChIKeyDJLBSKHSJBEFGH-HXUWFJFHSA-N
XLogP3.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-9-(oxane-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72856189
9-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97144814
9-(1,4-dioxan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72914999
2-[[(2R)-oxolan-2-yl]methyl]-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97127207
9-[(2-chloro-4-fluorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97131912
2-benzyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70756757
2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97127014
2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70740041
9-[(3-fluoro-4-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97132816
9-[2-(3-methoxyphenoxy)ethyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136238
2-benzyl-9-ethylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72929649
9-(3-methylsulfanylpropyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72918622

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97136898) is 2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C[C@H]3CCCCO3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DJLBSKHSJBEFGH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-21-9-10-22(18-24(21)16-19-6-2-1-3-7-19)11-13-23(14-12-22)17-20-8-4-5-15-26-20/h1-3,6-7,20H,4-5,8-18H2/t20-/m1/s1.
What are the key properties of 2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.51 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97136898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).