1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone

C10H18N2O2 — CID 125498225

IUPAC1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@]12CCNC2
InChIInChI=1S/C10H18N2O2/c1-14-7-9(13)12-6-2-3-10(12)4-5-11-8-10/h11H,2-8H2,1H3/t10-/m0/s1
InChIKeyNRGFKDOPFPWBDC-JTQLQIEISA-N
MW198.27 g/mol
LogP-0.01
Rot. Bonds2

About 1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone

1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone (PubChem CID 125498225) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone
PubChem CID125498225
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@]12CCNC2
InChIInChI=1S/C10H18N2O2/c1-14-7-9(13)12-6-2-3-10(12)4-5-11-8-10/h11H,2-8H2,1H3/t10-/m0/s1
InChIKeyNRGFKDOPFPWBDC-JTQLQIEISA-N
XLogP-0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-diazaspiro[4.4]nonane-1-carboxamide
CID 91618521
2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone
CID 69170162
1,7-diazaspiro[4.4]nonan-1-yl-(4-methylphenyl)methanone
CID 121451704
bis(tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate);oxalic acid
CID 91800935
2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 127763978
1-methyl-1,7-diazaspiro[4.4]nonane
CID 52988115
(5S)-1-methyl-1,7-diazaspiro[4.4]nonane
CID 86326981
butyl 1,7-diazaspiro[3.4]octane-1-carboxylate
CID 150998309
2-methoxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone
CID 58293327
(4S)-N-methyl-1,8-diazaspiro[3.5]nonane-1-carboxamide
CID 97399273
2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride
CID 118742012
8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131663239

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone (CID 125498225) is 1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@@]12CCNC2.
What is the InChIKey of 1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone?
The InChIKey is NRGFKDOPFPWBDC-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-7-9(13)12-6-2-3-10(12)4-5-11-8-10/h11H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone?
1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone has a molecular weight of 198.27 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone is sourced from PubChem (CID 125498225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).