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

C17H21N3O2 — CID 110198084

IUPAC[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESCc1cnc(C2CC2)n1C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C17H21N3O2/c1-12-9-18-16(13-4-5-13)20(12)15-3-2-7-19(10-15)17(21)14-6-8-22-11-14/h6,8-9,11,13,15H,2-5,7,10H2,1H3
InChIKeyXONBDEIHGCEYRC-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.14
Rot. Bonds3

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

[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 110198084) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID110198084
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESCc1cnc(C2CC2)n1C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C17H21N3O2/c1-12-9-18-16(13-4-5-13)20(12)15-3-2-7-19(10-15)17(21)14-6-8-22-11-14/h6,8-9,11,13,15H,2-5,7,10H2,1H3
InChIKeyXONBDEIHGCEYRC-UHFFFAOYSA-N
XLogP3.14
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone (CID 110198084) is [3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone is Cc1cnc(C2CC2)n1C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of [3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is XONBDEIHGCEYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-9-18-16(13-4-5-13)20(12)15-3-2-7-19(10-15)17(21)14-6-8-22-11-14/h6,8-9,11,13,15H,2-5,7,10H2,1H3.
What are the key properties of [3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone?
[3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 110198084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).