[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone

C17H22N4O2 — CID 97238185

IUPAC[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cnc(C)[nH]3)C[C@@H]2C)c1
InChIInChI=1S/C17H22N4O2/c1-12-11-20(17(22)16-10-18-13(2)19-16)7-8-21(12)14-5-4-6-15(9-14)23-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyLNKHFBIVBVLYLR-LBPRGKRZSA-N
MW314.39 g/mol
LogP2.08
Rot. Bonds3

About [(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone

[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone (PubChem CID 97238185) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
PubChem CID97238185
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cnc(C)[nH]3)C[C@@H]2C)c1
InChIInChI=1S/C17H22N4O2/c1-12-11-20(17(22)16-10-18-13(2)19-16)7-8-21(12)14-5-4-6-15(9-14)23-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyLNKHFBIVBVLYLR-LBPRGKRZSA-N
XLogP2.08
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)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

[(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 97238184
(3-methoxyphenyl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2465576
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 154738408
2-(3-methoxyphenyl)-1-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481309
2-(3-methoxyphenyl)-1-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481312
1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-4-(2-methyl-1H-imidazol-5-yl)butane-1,4-dione
CID 121448799
tert-butyl N-[(2R)-1-[(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97094565
[5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone
CID 21045914
[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-phenothiazin-10-ylmethanone
CID 6581037
(2S)-1-(3-methoxyphenyl)-2-methyl-4-propylpiperazine
CID 150274574
1-[(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 97071464
1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 166207018

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The IUPAC name of [(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone (CID 97238185) is [(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone.
What is the SMILES notation for [(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The canonical SMILES for [(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone is COc1cccc(N2CCN(C(=O)c3cnc(C)[nH]3)C[C@@H]2C)c1.
What is the InChIKey of [(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The InChIKey is LNKHFBIVBVLYLR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-11-20(17(22)16-10-18-13(2)19-16)7-8-21(12)14-5-4-6-15(9-14)23-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of [(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 97238185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).