[5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone

C19H24N2O3 — CID 91679345

IUPAC[5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1cc(N)ccc1-c1ccc(C(=O)N2CC(C)CC(C)C2)o1
InChIInChI=1S/C19H24N2O3/c1-12-8-13(2)11-21(10-12)19(22)17-7-6-16(24-17)15-5-4-14(20)9-18(15)23-3/h4-7,9,12-13H,8,10-11,20H2,1-3H3
InChIKeyUPIZLDYVQPJGAV-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.66
Rot. Bonds3

About [5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone

[5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 91679345) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID91679345
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1cc(N)ccc1-c1ccc(C(=O)N2CC(C)CC(C)C2)o1
InChIInChI=1S/C19H24N2O3/c1-12-8-13(2)11-21(10-12)19(22)17-7-6-16(24-17)15-5-4-14(20)9-18(15)23-3/h4-7,9,12-13H,8,10-11,20H2,1-3H3
InChIKeyUPIZLDYVQPJGAV-UHFFFAOYSA-N
XLogP3.66
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 91679345) is [5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone is COc1cc(N)ccc1-c1ccc(C(=O)N2CC(C)CC(C)C2)o1.
What is the InChIKey of [5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is UPIZLDYVQPJGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-8-13(2)11-21(10-12)19(22)17-7-6-16(24-17)15-5-4-14(20)9-18(15)23-3/h4-7,9,12-13H,8,10-11,20H2,1-3H3.
What are the key properties of [5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
[5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 91679345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).