4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C11H18N4O2 — CID 61204139

IUPAC4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCNCC1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H18N4O2/c1-12-5-8-3-2-4-15(7-8)10(16)9-6-13-11(17)14-9/h6,8,12H,2-5,7H2,1H3,(H2,13,14,17)
InChIKeyJHZMVHWEISVAJQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.23
Rot. Bonds3

About 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 61204139) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID61204139
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCNCC1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H18N4O2/c1-12-5-8-3-2-4-15(7-8)10(16)9-6-13-11(17)14-9/h6,8,12H,2-5,7H2,1H3,(H2,13,14,17)
InChIKeyJHZMVHWEISVAJQ-UHFFFAOYSA-N
XLogP-0.23
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
4-[4-(3-Methylbutyl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 53499787
3-methyl-5-[3-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]-1H-imidazol-2-one
CID 137880076
3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 138034236
N,3-dimethyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 167977632
5-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
CID 17275060
(3-methylpiperidin-1-yl)-(3-methyl-2-sulfanylidene-1H-imidazol-5-yl)methanone
CID 59304483
(2S)-N-(2,4-dioxo-1H-pyrimidin-5-yl)-2,4-dimethylpentanamide
CID 60069592
(2S)-2,4-dimethyl-N-(9-oxo-6,10-diazaspiro[4.5]dec-7-en-8-yl)pentanamide
CID 60069603
(2S)-N-(2-tert-butyl-4-oxo-2,3-dihydro-1H-pyrimidin-5-yl)-2,4-dimethylpentanamide
CID 60069604
2-Methyl-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66852834
2-[(Dimethylamino)methyl]-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66854224

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 61204139) is 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is CNCC1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1.
What is the InChIKey of 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is JHZMVHWEISVAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-12-5-8-3-2-4-15(7-8)10(16)9-6-13-11(17)14-9/h6,8,12H,2-5,7H2,1H3,(H2,13,14,17).
What are the key properties of 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 238.29 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 61204139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).