(2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C17H22N4O2 — CID 94067039

IUPAC(2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@H](C)n2ccnc2)CC1
InChIInChI=1S/C17H22N4O2/c1-14(21-8-7-18-13-21)17(22)20-11-9-19(10-12-20)15-5-3-4-6-16(15)23-2/h3-8,13-14H,9-12H2,1-2H3/t14-/m0/s1
InChIKeyBOEDXXGZHLGSPU-AWEZNQCLSA-N
MW314.39 g/mol
LogP1.80
Rot. Bonds4

About (2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

(2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 94067039) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID94067039
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@H](C)n2ccnc2)CC1
InChIInChI=1S/C17H22N4O2/c1-14(21-8-7-18-13-21)17(22)20-11-9-19(10-12-20)15-5-3-4-6-16(15)23-2/h3-8,13-14H,9-12H2,1-2H3/t14-/m0/s1
InChIKeyBOEDXXGZHLGSPU-AWEZNQCLSA-N
XLogP1.80
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 94067039) is (2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1N1CCN(C(=O)[C@H](C)n2ccnc2)CC1.
What is the InChIKey of (2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is BOEDXXGZHLGSPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14(21-8-7-18-13-21)17(22)20-11-9-19(10-12-20)15-5-3-4-6-16(15)23-2/h3-8,13-14H,9-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
(2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 314.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 94067039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).