cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C17H25N3O — CID 110198099

IUPACcyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnc(C2CC2)n1CC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H25N3O/c1-12-10-18-16(14-2-3-14)20(12)11-13-6-8-19(9-7-13)17(21)15-4-5-15/h10,13-15H,2-9,11H2,1H3
InChIKeyBXHUDSYBHJBIOC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.72
Rot. Bonds4

About cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone

cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 110198099) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID110198099
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Namecyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnc(C2CC2)n1CC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H25N3O/c1-12-10-18-16(14-2-3-14)20(12)11-13-6-8-19(9-7-13)17(21)15-4-5-15/h10,13-15H,2-9,11H2,1H3
InChIKeyBXHUDSYBHJBIOC-UHFFFAOYSA-N
XLogP2.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 110198099) is cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnc(C2CC2)n1CC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is BXHUDSYBHJBIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-10-18-16(14-2-3-14)20(12)11-13-6-8-19(9-7-13)17(21)15-4-5-15/h10,13-15H,2-9,11H2,1H3.
What are the key properties of cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110198099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).