3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one

C10H17N3O — CID 103125432

IUPAC3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one
SMILESCN1CCC(Cn2cc[nH]c2=O)CC1
InChIInChI=1S/C10H17N3O/c1-12-5-2-9(3-6-12)8-13-7-4-11-10(13)14/h4,7,9H,2-3,5-6,8H2,1H3,(H,11,14)
InChIKeyGZUVFCKSTIYZAI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.52
Rot. Bonds2

About 3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one

3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one (PubChem CID 103125432) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one
PubChem CID103125432
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one
SMILESCN1CCC(Cn2cc[nH]c2=O)CC1
InChIInChI=1S/C10H17N3O/c1-12-5-2-9(3-6-12)8-13-7-4-11-10(13)14/h4,7,9H,2-3,5-6,8H2,1H3,(H,11,14)
InChIKeyGZUVFCKSTIYZAI-UHFFFAOYSA-N
XLogP0.52
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one (CID 103125432) is 3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one is CN1CCC(Cn2cc[nH]c2=O)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one?
The InChIKey is GZUVFCKSTIYZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-5-2-9(3-6-12)8-13-7-4-11-10(13)14/h4,7,9H,2-3,5-6,8H2,1H3,(H,11,14).
What are the key properties of 3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one?
3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)methyl]-1H-imidazol-2-one is sourced from PubChem (CID 103125432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).