[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone

C19H25N3O3 — CID 72884432

IUPAC[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)o1
InChIInChI=1S/C19H25N3O3/c1-24-17-6-5-16(25-17)19(23)21-10-7-15(8-11-21)18-20-9-12-22(18)13-14-3-2-4-14/h5-6,9,12,14-15H,2-4,7-8,10-11,13H2,1H3
InChIKeyCVFKCIYYNNWDDA-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.30
Rot. Bonds5

About [4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone

[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone (PubChem CID 72884432) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
PubChem CID72884432
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)o1
InChIInChI=1S/C19H25N3O3/c1-24-17-6-5-16(25-17)19(23)21-10-7-15(8-11-21)18-20-9-12-22(18)13-14-3-2-4-14/h5-6,9,12,14-15H,2-4,7-8,10-11,13H2,1H3
InChIKeyCVFKCIYYNNWDDA-UHFFFAOYSA-N
XLogP3.30
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The IUPAC name of [4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone (CID 72884432) is [4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone.
What is the SMILES notation for [4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The canonical SMILES for [4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone is COc1ccc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)o1.
What is the InChIKey of [4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The InChIKey is CVFKCIYYNNWDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-24-17-6-5-16(25-17)19(23)21-10-7-15(8-11-21)18-20-9-12-22(18)13-14-3-2-4-14/h5-6,9,12,14-15H,2-4,7-8,10-11,13H2,1H3.
What are the key properties of [4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone is sourced from PubChem (CID 72884432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).