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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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).