1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride

C13H23ClN4O2 — CID 154910996

IUPAC1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride
SMILESCN1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)NC3)C1=O.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-15-4-5-16(13(15)19)9-12(18)17-7-10-2-3-11(8-17)14-6-10;/h10-11,14H,2-9H2,1H3;1H/t10-,11-;/m0./s1
InChIKeyTVHIHDDFBGNBPL-ACMTZBLWSA-N
MW302.81 g/mol
LogP-0.01
Rot. Bonds2

About 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride

1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride (PubChem CID 154910996) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride
PubChem CID154910996
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride
SMILESCN1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)NC3)C1=O.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-15-4-5-16(13(15)19)9-12(18)17-7-10-2-3-11(8-17)14-6-10;/h10-11,14H,2-9H2,1H3;1H/t10-,11-;/m0./s1
InChIKeyTVHIHDDFBGNBPL-ACMTZBLWSA-N
XLogP-0.01
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 154908225
(1R,5S)-3-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122572871
1-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidin-2-one;hydrochloride
CID 154907077
3-cyclopentyl-1-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]propan-1-one
CID 122558011
N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 45110665
1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one
CID 72921513
1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 126438932
[(1R)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-[(2R)-2-fluorocyclopropyl]methanone
CID 45110656
1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride
CID 119579540
1-[2-[(3aS,5R,6R,7aR)-5-[(2,6-dimethyl-3-pyridinyl)oxy]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-oxoethyl]-3-methylimidazolidin-2-one
CID 172668673
1-methyl-3-(5-methylhexyl)imidazolidin-2-one
CID 167272324
2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[2-(oxan-3-yl)ethyl]acetamide
CID 122572512

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride (CID 154910996) is 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride is CN1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)NC3)C1=O.Cl.
What is the InChIKey of 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride?
The InChIKey is TVHIHDDFBGNBPL-ACMTZBLWSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-15-4-5-16(13(15)19)9-12(18)17-7-10-2-3-11(8-17)14-6-10;/h10-11,14H,2-9H2,1H3;1H/t10-,11-;/m0./s1.
What are the key properties of 1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride?
1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride has a molecular weight of 302.81 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-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]-3-methylimidazolidin-2-one;hydrochloride is sourced from PubChem (CID 154910996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).