[5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone

C19H24N2O3 — CID 91679691

IUPAC[5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3C(C)CCCC3C)o2)cc1N
InChIInChI=1S/C19H24N2O3/c1-12-5-4-6-13(2)21(12)19(22)18-10-9-16(24-18)14-7-8-17(23-3)15(20)11-14/h7-13H,4-6,20H2,1-3H3
InChIKeyRDKMPFPMLULINW-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.94
Rot. Bonds3

About [5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone

[5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 91679691) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID91679691
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3C(C)CCCC3C)o2)cc1N
InChIInChI=1S/C19H24N2O3/c1-12-5-4-6-13(2)21(12)19(22)18-10-9-16(24-18)14-7-8-17(23-3)15(20)11-14/h7-13H,4-6,20H2,1-3H3
InChIKeyRDKMPFPMLULINW-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-amino-4-bromophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 100804650
[5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 91679692
[5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804554
[5-(5-amino-2-chlorophenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 100804658
(2-amino-4,5-dimethoxyphenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 16782848
(2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689862
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
[5-(1-chloroethyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 82109903
[5-(3-amino-4-methylphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91679636
3-(3-amino-4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071342
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 27271524

Frequently Asked Questions

What is the IUPAC name of [5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone (CID 91679691) is [5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone is COc1ccc(-c2ccc(C(=O)N3C(C)CCCC3C)o2)cc1N.
What is the InChIKey of [5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is RDKMPFPMLULINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-5-4-6-13(2)21(12)19(22)18-10-9-16(24-18)14-7-8-17(23-3)15(20)11-14/h7-13H,4-6,20H2,1-3H3.
What are the key properties of [5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
[5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 91679691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).