(2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone

C10H17N3O — CID 22690139

IUPAC(2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone
SMILESCC1=NCCN1C(=O)C1CCNCC1
InChIInChI=1S/C10H17N3O/c1-8-12-6-7-13(8)10(14)9-2-4-11-5-3-9/h9,11H,2-7H2,1H3
InChIKeyMNDFJUUMUKUTJF-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.25
Rot. Bonds1

About (2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone

(2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone (PubChem CID 22690139) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone
PubChem CID22690139
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone
SMILESCC1=NCCN1C(=O)C1CCNCC1
InChIInChI=1S/C10H17N3O/c1-8-12-6-7-13(8)10(14)9-2-4-11-5-3-9/h9,11H,2-7H2,1H3
InChIKeyMNDFJUUMUKUTJF-UHFFFAOYSA-N
XLogP0.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone?
The IUPAC name of (2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone (CID 22690139) is (2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone is CC1=NCCN1C(=O)C1CCNCC1.
What is the InChIKey of (2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone?
The InChIKey is MNDFJUUMUKUTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-12-6-7-13(8)10(14)9-2-4-11-5-3-9/h9,11H,2-7H2,1H3.
What are the key properties of (2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone?
(2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone has a molecular weight of 195.27 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 22690139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).