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

C22H31N3O4 — CID 97120006

IUPAC9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(COC[C@H]1CCCO1)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1
InChIInChI=1S/C22H31N3O4/c26-20-6-7-22(17-25(20)14-18-4-1-2-10-23-18)8-11-24(12-9-22)21(27)16-28-15-19-5-3-13-29-19/h1-2,4,10,19H,3,5-9,11-17H2/t19-/m1/s1
InChIKeyHVCFWWRUZWIBMX-LJQANCHMSA-N
MW401.51 g/mol
LogP2.01
Rot. Bonds6

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

9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97120006) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97120006
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(COC[C@H]1CCCO1)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1
InChIInChI=1S/C22H31N3O4/c26-20-6-7-22(17-25(20)14-18-4-1-2-10-23-18)8-11-24(12-9-22)21(27)16-28-15-19-5-3-13-29-19/h1-2,4,10,19H,3,5-9,11-17H2/t19-/m1/s1
InChIKeyHVCFWWRUZWIBMX-LJQANCHMSA-N
XLogP2.01
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97142931
(6R)-8-(2-hydroxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896840
2-[[(2R)-oxolan-2-yl]methyl]-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97127207
(6S)-8-(2-propan-2-yloxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95869134
9-(3-ethylsulfanylpropanoyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72874009
2-(oxolan-2-ylmethoxy)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 136531026
9-[3-(2-methylimidazol-1-yl)propanoyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72842590
(6R)-8-(3-ethoxypropanoyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896513
9-[2-[4-(hydroxymethyl)phenyl]acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97128034
4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide
CID 95874562
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466

Frequently Asked Questions

What is the IUPAC name of 9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97120006) is 9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C(COC[C@H]1CCCO1)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1.
What is the InChIKey of 9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HVCFWWRUZWIBMX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N3O4/c26-20-6-7-22(17-25(20)14-18-4-1-2-10-23-18)8-11-24(12-9-22)21(27)16-28-15-19-5-3-13-29-19/h1-2,4,10,19H,3,5-9,11-17H2/t19-/m1/s1.
What are the key properties of 9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 401.51 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97120006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).