(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone

C16H20N4O2 — CID 128987740

IUPAC(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone
SMILESCN1CCN(C(=O)[C@@H](O)c2ccccc2)CC1c1ncc[nH]1
InChIInChI=1S/C16H20N4O2/c1-19-9-10-20(11-13(19)15-17-7-8-18-15)16(22)14(21)12-5-3-2-4-6-12/h2-8,13-14,21H,9-11H2,1H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyWTSCRVMRJMIRHX-KZUDCZAMSA-N
MW300.36 g/mol
LogP0.96
Rot. Bonds3

About (2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone

(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone (PubChem CID 128987740) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone
PubChem CID128987740
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone
SMILESCN1CCN(C(=O)[C@@H](O)c2ccccc2)CC1c1ncc[nH]1
InChIInChI=1S/C16H20N4O2/c1-19-9-10-20(11-13(19)15-17-7-8-18-15)16(22)14(21)12-5-3-2-4-6-12/h2-8,13-14,21H,9-11H2,1H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyWTSCRVMRJMIRHX-KZUDCZAMSA-N
XLogP0.96
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 128992347
[(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-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129329066
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 129328621
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]-thiophen-3-ylmethanone
CID 129337486
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129337888
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 128965047
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129337493
1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129337757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone?
The IUPAC name of (2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone (CID 128987740) is (2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone?
The canonical SMILES for (2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone is CN1CCN(C(=O)[C@@H](O)c2ccccc2)CC1c1ncc[nH]1.
What is the InChIKey of (2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone?
The InChIKey is WTSCRVMRJMIRHX-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-9-10-20(11-13(19)15-17-7-8-18-15)16(22)14(21)12-5-3-2-4-6-12/h2-8,13-14,21H,9-11H2,1H3,(H,17,18)/t13?,14-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone?
(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone has a molecular weight of 300.36 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 128987740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).