4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

C9H14N4O2 — CID 82755240

IUPAC4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESC[C@H]1CNCCN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-6-4-10-2-3-13(6)8(14)7-5-11-9(15)12-7/h5-6,10H,2-4H2,1H3,(H2,11,12,15)/t6-/m0/s1
InChIKeyUOMCHZLRJIGUMI-LURJTMIESA-N
MW210.24 g/mol
LogP-0.86
Rot. Bonds1

About 4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 82755240) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID82755240
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESC[C@H]1CNCCN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-6-4-10-2-3-13(6)8(14)7-5-11-9(15)12-7/h5-6,10H,2-4H2,1H3,(H2,11,12,15)/t6-/m0/s1
InChIKeyUOMCHZLRJIGUMI-LURJTMIESA-N
XLogP-0.86
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 55104387
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 43594545
(2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
CID 119470551
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 119472810
4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 82704916
(2-methylpiperazin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71639489
(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone
CID 62671508
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 82755240) is 4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is C[C@H]1CNCCN1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is UOMCHZLRJIGUMI-LURJTMIESA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-4-10-2-3-13(6)8(14)7-5-11-9(15)12-7/h5-6,10H,2-4H2,1H3,(H2,11,12,15)/t6-/m0/s1.
What are the key properties of 4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 82755240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).