1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione

C19H35N3O3 — CID 124857685

IUPAC1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione
SMILESCCC[C@@H]1CN(C(=O)C(=O)N2[C@H](C)CCC[C@H]2C)CCN1CCOC
InChIInChI=1S/C19H35N3O3/c1-5-7-17-14-21(11-10-20(17)12-13-25-4)18(23)19(24)22-15(2)8-6-9-16(22)3/h15-17H,5-14H2,1-4H3/t15-,16-,17-/m1/s1
InChIKeyGLDSXSMVVWMRMG-BRWVUGGUSA-N
MW353.51 g/mol
LogP1.74
Rot. Bonds5

About 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione (PubChem CID 124857685) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione
PubChem CID124857685
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione
SMILESCCC[C@@H]1CN(C(=O)C(=O)N2[C@H](C)CCC[C@H]2C)CCN1CCOC
InChIInChI=1S/C19H35N3O3/c1-5-7-17-14-21(11-10-20(17)12-13-25-4)18(23)19(24)22-15(2)8-6-9-16(22)3/h15-17H,5-14H2,1-4H3/t15-,16-,17-/m1/s1
InChIKeyGLDSXSMVVWMRMG-BRWVUGGUSA-N
XLogP1.74
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione with MolForge

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Related Compounds

1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 75395920
[(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone
CID 97339713
[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 138045601
ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 108521881
1-(2,6-dimethylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504575
(1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119880395
(2S)-2-amino-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119880381
(3-aminocyclohexyl)-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
CID 119880273
1-(2-methoxyethyl)-2,6-dimethylazepane
CID 126991337
2-methoxyethyl 2,6-dimethylpiperidine-1-carboxylate
CID 142740059
1-(2-methoxyethyl)-5-propylpyrrolidin-3-ol
CID 102568675
N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 98765571

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione (CID 124857685) is 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione is CCC[C@@H]1CN(C(=O)C(=O)N2[C@H](C)CCC[C@H]2C)CCN1CCOC.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione?
The InChIKey is GLDSXSMVVWMRMG-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-5-7-17-14-21(11-10-20(17)12-13-25-4)18(23)19(24)22-15(2)8-6-9-16(22)3/h15-17H,5-14H2,1-4H3/t15-,16-,17-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione?
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione has a molecular weight of 353.51 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 124857685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).