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

C15H20N4O2 — CID 129329973

IUPAC[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESCCN1CCN(C(=O)c2ccoc2)C[C@H]1c1nccn1C
InChIInChI=1S/C15H20N4O2/c1-3-18-7-8-19(15(20)12-4-9-21-11-12)10-13(18)14-16-5-6-17(14)2/h4-6,9,11,13H,3,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyHEYJDQDRVAKDBW-ZDUSSCGKSA-N
MW288.35 g/mol
LogP1.53
Rot. Bonds3

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

[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 129329973) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID129329973
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESCCN1CCN(C(=O)c2ccoc2)C[C@H]1c1nccn1C
InChIInChI=1S/C15H20N4O2/c1-3-18-7-8-19(15(20)12-4-9-21-11-12)10-13(18)14-16-5-6-17(14)2/h4-6,9,11,13H,3,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyHEYJDQDRVAKDBW-ZDUSSCGKSA-N
XLogP1.53
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 128997602
(3S)-4-ethyl-N-(furan-3-ylmethyl)-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129331566
[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
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129001271
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
(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)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 129006019
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 128971897
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 129340807
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 129007005

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone (CID 129329973) is [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone is CCN1CCN(C(=O)c2ccoc2)C[C@H]1c1nccn1C.
What is the InChIKey of [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is HEYJDQDRVAKDBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-18-7-8-19(15(20)12-4-9-21-11-12)10-13(18)14-16-5-6-17(14)2/h4-6,9,11,13H,3,7-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone?
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 129329973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).