3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

C15H24N4O2 — CID 64901017

IUPAC3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1nccn1CCN1C(=O)C(C)(C)NC(=O)C1C(C)C
InChIInChI=1S/C15H24N4O2/c1-10(2)12-13(20)17-15(4,5)14(21)19(12)9-8-18-7-6-16-11(18)3/h6-7,10,12H,8-9H2,1-5H3,(H,17,20)
InChIKeyTWDQDLYLPHDVFD-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.95
Rot. Bonds4

About 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64901017) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64901017
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1nccn1CCN1C(=O)C(C)(C)NC(=O)C1C(C)C
InChIInChI=1S/C15H24N4O2/c1-10(2)12-13(20)17-15(4,5)14(21)19(12)9-8-18-7-6-16-11(18)3/h6-7,10,12H,8-9H2,1-5H3,(H,17,20)
InChIKeyTWDQDLYLPHDVFD-UHFFFAOYSA-N
XLogP0.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
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(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
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N-cyclohexyl-2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]acetamide
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N-tert-butyl-N'-[2-(2-methyl-1H-imidazol-1-yl)ethyl]ethanediamide
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N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)ethyl]-2-methylpropanamide
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CID 53559979
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CID 53561071
N-(1-cyano-1-cyclopropylethyl)-2-{4-[(1-ethyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}acetamide
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (CID 64901017) is 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione is Cc1nccn1CCN1C(=O)C(C)(C)NC(=O)C1C(C)C.
What is the InChIKey of 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is TWDQDLYLPHDVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(2)12-13(20)17-15(4,5)14(21)19(12)9-8-18-7-6-16-11(18)3/h6-7,10,12H,8-9H2,1-5H3,(H,17,20).
What are the key properties of 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64901017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).