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

C16H20N4O2 — CID 129341861

IUPAC[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)c1
InChIInChI=1S/C16H20N4O2/c1-19-8-9-20(11-14(19)15-17-6-7-18-15)16(21)12-4-3-5-13(10-12)22-2/h3-7,10,14H,8-9,11H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyZNKHVIRWDVDFPQ-AWEZNQCLSA-N
MW300.36 g/mol
LogP1.55
Rot. Bonds3

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

[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 129341861) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID129341861
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)c1
InChIInChI=1S/C16H20N4O2/c1-19-8-9-20(11-14(19)15-17-6-7-18-15)16(21)12-4-3-5-13(10-12)22-2/h3-7,10,14H,8-9,11H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyZNKHVIRWDVDFPQ-AWEZNQCLSA-N
XLogP1.55
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 129337486
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 129332731
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 129329822
[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 128993003
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 129328621
1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129329066
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone
CID 128987740
[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 110149404
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
(5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129335318

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone (CID 129341861) is [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)c1.
What is the InChIKey of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is ZNKHVIRWDVDFPQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-8-9-20(11-14(19)15-17-6-7-18-15)16(21)12-4-3-5-13(10-12)22-2/h3-7,10,14H,8-9,11H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone?
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 129341861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).