[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone

C16H26N4O2 — CID 128997527

IUPAC[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone
SMILESCCN1CCN(C(=O)C2OCCC2C)CC1c1nccn1C
InChIInChI=1S/C16H26N4O2/c1-4-19-8-9-20(16(21)14-12(2)5-10-22-14)11-13(19)15-17-6-7-18(15)3/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyFQNCSKASZCISTN-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.05
Rot. Bonds3

About [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone

[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone (PubChem CID 128997527) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone
PubChem CID128997527
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone
SMILESCCN1CCN(C(=O)C2OCCC2C)CC1c1nccn1C
InChIInChI=1S/C16H26N4O2/c1-4-19-8-9-20(16(21)14-12(2)5-10-22-14)11-13(19)15-17-6-7-18(15)3/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyFQNCSKASZCISTN-UHFFFAOYSA-N
XLogP1.05
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
CID 129340377
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129329650
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 129335168
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129328537
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129007007
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129341691
4-ethyl-N-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 128968436
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(2S,5R)-5-methyloxolan-2-yl]propan-1-one
CID 129339745
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129332688
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
4-ethyl-3-(1-methylimidazol-2-yl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129006019

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone?
The IUPAC name of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone (CID 128997527) is [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone.
What is the SMILES notation for [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone?
The canonical SMILES for [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone is CCN1CCN(C(=O)C2OCCC2C)CC1c1nccn1C.
What is the InChIKey of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone?
The InChIKey is FQNCSKASZCISTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-19-8-9-20(16(21)14-12(2)5-10-22-14)11-13(19)15-17-6-7-18(15)3/h6-7,12-14H,4-5,8-11H2,1-3H3.
What are the key properties of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone?
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone has a molecular weight of 306.41 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone is sourced from PubChem (CID 128997527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).