cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone

C17H25N3O — CID 110198087

IUPACcyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2CC2)n1C1CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C17H25N3O/c1-12-10-18-16(13-7-8-13)20(12)15-6-3-9-19(11-15)17(21)14-4-2-5-14/h10,13-15H,2-9,11H2,1H3
InChIKeyVYUSWQSIBUPUNP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.03
Rot. Bonds3

About cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone

cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 110198087) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID110198087
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Namecyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2CC2)n1C1CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C17H25N3O/c1-12-10-18-16(13-7-8-13)20(12)15-6-3-9-19(11-15)17(21)14-4-2-5-14/h10,13-15H,2-9,11H2,1H3
InChIKeyVYUSWQSIBUPUNP-UHFFFAOYSA-N
XLogP3.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone (CID 110198087) is cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone is Cc1cnc(C2CC2)n1C1CCCN(C(=O)C2CCC2)C1.
What is the InChIKey of cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is VYUSWQSIBUPUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-10-18-16(13-7-8-13)20(12)15-6-3-9-19(11-15)17(21)14-4-2-5-14/h10,13-15H,2-9,11H2,1H3.
What are the key properties of cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone?
cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110198087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).