[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone

C16H20N4O — CID 129332731

IUPAC[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1
InChIInChI=1S/C16H20N4O/c1-12-5-3-4-6-13(12)16(21)20-10-9-19(2)14(11-20)15-17-7-8-18-15/h3-8,14H,9-11H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyLHVWAJYAFSEULI-AWEZNQCLSA-N
MW284.36 g/mol
LogP1.85
Rot. Bonds2

About [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone

[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 129332731) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID129332731
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1
InChIInChI=1S/C16H20N4O/c1-12-5-3-4-6-13(12)16(21)20-10-9-19(2)14(11-20)15-17-7-8-18-15/h3-8,14H,9-11H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyLHVWAJYAFSEULI-AWEZNQCLSA-N
XLogP1.85
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 128993003
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 129329822
4-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carbonyl]-3-methylbenzonitrile
CID 129331848
1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129329066
[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 129337065
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 129328621
(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone
CID 128987740
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 129337486
(5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129335318
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 129341861
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129337888
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 129340634

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone (CID 129332731) is [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1.
What is the InChIKey of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is LHVWAJYAFSEULI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-5-3-4-6-13(12)16(21)20-10-9-19(2)14(11-20)15-17-7-8-18-15/h3-8,14H,9-11H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone?
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 129332731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).