2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one

C11H20N4O — CID 59279731

IUPAC2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one
SMILESCC1=NC(CNC2CCN(C)CC2)C(=O)N1
InChIInChI=1S/C11H20N4O/c1-8-13-10(11(16)14-8)7-12-9-3-5-15(2)6-4-9/h9-10,12H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyIISBARVJWRYFRV-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.41
Rot. Bonds3

About 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one

2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one (PubChem CID 59279731) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one
PubChem CID59279731
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one
SMILESCC1=NC(CNC2CCN(C)CC2)C(=O)N1
InChIInChI=1S/C11H20N4O/c1-8-13-10(11(16)14-8)7-12-9-3-5-15(2)6-4-9/h9-10,12H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyIISBARVJWRYFRV-UHFFFAOYSA-N
XLogP-0.41
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(1-piperazin-1-ylpropyl)-1H-pyrimidine-4,6-dione
CID 80550838
5-fluoro-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
CID 80550894
2-[2-[4-(Methylamino)piperidin-1-yl]-2-oxoethyl]guanidine
CID 20641631
5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide
CID 59185287
5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide
CID 59185300
5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide
CID 59185305
(5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide
CID 59185306
2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+)
CID 59279730
2-Methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70995660
N'-[3-[(2S,5S)-4-acetyl-5-methylpiperazin-2-yl]propyl]ethanimidamide
CID 89328660
5-(piperidin-4-ylamino)-2,3-dihydro-1H-pyrazin-6-one
CID 89355939
(2R,5S)-5-[3-(1-aminoethylideneamino)propyl]-4-methyl-6-oxopiperazine-2-carboxamide
CID 89682864

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one (CID 59279731) is 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one is CC1=NC(CNC2CCN(C)CC2)C(=O)N1.
What is the InChIKey of 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one?
The InChIKey is IISBARVJWRYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-13-10(11(16)14-8)7-12-9-3-5-15(2)6-4-9/h9-10,12H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one?
2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one has a molecular weight of 224.31 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 59279731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).