2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one

C17H28N2O4 — CID 97142931

IUPAC2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(C(=O)COC[C@H]1CCCO1)CC2
InChIInChI=1S/C17H28N2O4/c1-18-13-17(5-4-15(18)20)6-8-19(9-7-17)16(21)12-22-11-14-3-2-10-23-14/h14H,2-13H2,1H3/t14-/m1/s1
InChIKeyKIXSPNIXBUJUSA-CQSZACIVSA-N
MW324.42 g/mol
LogP1.04
Rot. Bonds4

About 2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one

2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97142931) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97142931
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(C(=O)COC[C@H]1CCCO1)CC2
InChIInChI=1S/C17H28N2O4/c1-18-13-17(5-4-15(18)20)6-8-19(9-7-17)16(21)12-22-11-14-3-2-10-23-14/h14H,2-13H2,1H3/t14-/m1/s1
InChIKeyKIXSPNIXBUJUSA-CQSZACIVSA-N
XLogP1.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-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

9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97120006
1-[4-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 92622482
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95290908
9-[2-[4-(hydroxymethyl)phenyl]acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97128034
9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97129189
4-ethyl-2-methyl-5-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56710278
9-[2-(4-methylphenyl)acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97113040
9-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97123761
9-(3-methylbut-2-enoyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72891706
9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936680
9-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97154689
1-[2-oxo-2-[3-oxo-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethyl]pyrimidine-2,4-dione
CID 72853609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97142931) is 2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCC1=O)CCN(C(=O)COC[C@H]1CCCO1)CC2.
What is the InChIKey of 2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KIXSPNIXBUJUSA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-18-13-17(5-4-15(18)20)6-8-19(9-7-17)16(21)12-22-11-14-3-2-10-23-14/h14H,2-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 324.42 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97142931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).