(2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one

C14H24N4O2 — CID 129329291

IUPAC(2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one
SMILESCCC[C@@](C)(O)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C14H24N4O2/c1-4-5-14(2,20)13(19)18-9-8-17(3)11(10-18)12-15-6-7-16-12/h6-7,11,20H,4-5,8-10H2,1-3H3,(H,15,16)/t11-,14-/m1/s1
InChIKeyDXEYJNGCOGOVOZ-BXUZGUMPSA-N
MW280.37 g/mol
LogP0.78
Rot. Bonds4

About (2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one

(2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one (PubChem CID 129329291) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one
PubChem CID129329291
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one
SMILESCCC[C@@](C)(O)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C14H24N4O2/c1-4-5-14(2,20)13(19)18-9-8-17(3)11(10-18)12-15-6-7-16-12/h6-7,11,20H,4-5,8-10H2,1-3H3,(H,15,16)/t11-,14-/m1/s1
InChIKeyDXEYJNGCOGOVOZ-BXUZGUMPSA-N
XLogP0.78
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one with MolForge

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Related Compounds

1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
3-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 129336485
[(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
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
(5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129335318
[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129330670
2-[(1R)-cyclopent-2-en-1-yl]-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129331096
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 129337486
[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 128993003

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one?
The IUPAC name of (2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one (CID 129329291) is (2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for (2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one is CCC[C@@](C)(O)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1.
What is the InChIKey of (2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one?
The InChIKey is DXEYJNGCOGOVOZ-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-5-14(2,20)13(19)18-9-8-17(3)11(10-18)12-15-6-7-16-12/h6-7,11,20H,4-5,8-10H2,1-3H3,(H,15,16)/t11-,14-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one?
(2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one has a molecular weight of 280.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 129329291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).