[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone

C17H22N4O2 — CID 129340634

IUPAC[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCCN1CCN(C(=O)c2ccccc2OC)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C17H22N4O2/c1-3-20-10-11-21(12-14(20)16-18-8-9-19-16)17(22)13-6-4-5-7-15(13)23-2/h4-9,14H,3,10-12H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyXNZWTBGYOZYWBS-AWEZNQCLSA-N
MW314.39 g/mol
LogP1.94
Rot. Bonds4

About [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone

[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 129340634) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID129340634
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCCN1CCN(C(=O)c2ccccc2OC)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C17H22N4O2/c1-3-20-10-11-21(12-14(20)16-18-8-9-19-16)17(22)13-6-4-5-7-15(13)23-2/h4-9,14H,3,10-12H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyXNZWTBGYOZYWBS-AWEZNQCLSA-N
XLogP1.94
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-difluorophenyl)-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129332514
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 128992146
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 128966110
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
CID 129334597
(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 128974600
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 128994735
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129329971
3-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 167822537
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 129006467
(2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 129341216

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 129340634) is [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone is CCN1CCN(C(=O)c2ccccc2OC)C[C@H]1c1ncc[nH]1.
What is the InChIKey of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is XNZWTBGYOZYWBS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-20-10-11-21(12-14(20)16-18-8-9-19-16)17(22)13-6-4-5-7-15(13)23-2/h4-9,14H,3,10-12H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 129340634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).