1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione

C15H24N4O2 — CID 122546761

IUPAC1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione
SMILESCCN(C)C1CCN(C(=O)CC(=O)c2nccn2C)CC1
InChIInChI=1S/C15H24N4O2/c1-4-17(2)12-5-8-19(9-6-12)14(21)11-13(20)15-16-7-10-18(15)3/h7,10,12H,4-6,8-9,11H2,1-3H3
InChIKeyMUSSURIBBAZWEE-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.94
Rot. Bonds5

About 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione

1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione (PubChem CID 122546761) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione
PubChem CID122546761
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione
SMILESCCN(C)C1CCN(C(=O)CC(=O)c2nccn2C)CC1
InChIInChI=1S/C15H24N4O2/c1-4-17(2)12-5-8-19(9-6-12)14(21)11-13(20)15-16-7-10-18(15)3/h7,10,12H,4-6,8-9,11H2,1-3H3
InChIKeyMUSSURIBBAZWEE-UHFFFAOYSA-N
XLogP0.94
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 79078425
3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one
CID 122546725
ethyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate
CID 58066133
3-(dimethylamino)-1-(1-methylimidazol-2-yl)propan-1-one
CID 115345823
2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 82468293
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(1-methylimidazol-2-yl)butan-1-one
CID 158996050
1-[4-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;sulfuric acid
CID 172727257
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
N-(1,1-dioxothiolan-3-yl)-N,1-dimethylimidazole-2-carboxamide
CID 110467315
4-(1-methylimidazol-2-yl)-4-oxobutanoic acid
CID 80503766
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone
CID 116588233
2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone
CID 103167849

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione?
The IUPAC name of 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione (CID 122546761) is 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione.
What is the SMILES notation for 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione?
The canonical SMILES for 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione is CCN(C)C1CCN(C(=O)CC(=O)c2nccn2C)CC1.
What is the InChIKey of 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione?
The InChIKey is MUSSURIBBAZWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-17(2)12-5-8-19(9-6-12)14(21)11-13(20)15-16-7-10-18(15)3/h7,10,12H,4-6,8-9,11H2,1-3H3.
What are the key properties of 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione?
1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione has a molecular weight of 292.38 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione is sourced from PubChem (CID 122546761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).