(5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

C16H20N2O3 — CID 102954915

IUPAC(5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cc3cc(N)ccc3o2)CCC1C
InChIInChI=1S/C16H20N2O3/c1-10-5-6-18(9-15(10)20-2)16(19)14-8-11-7-12(17)3-4-13(11)21-14/h3-4,7-8,10,15H,5-6,9,17H2,1-2H3
InChIKeyDVYUPUVPJBRTEM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.51
Rot. Bonds2

About (5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

(5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102954915) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102954915
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cc3cc(N)ccc3o2)CCC1C
InChIInChI=1S/C16H20N2O3/c1-10-5-6-18(9-15(10)20-2)16(19)14-8-11-7-12(17)3-4-13(11)21-14/h3-4,7-8,10,15H,5-6,9,17H2,1-2H3
InChIKeyDVYUPUVPJBRTEM-UHFFFAOYSA-N
XLogP2.51
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.51
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-amino-1-benzofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114542490
2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102954923
(5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 61101971
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965773
(5-amino-1-benzofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283899
1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960519
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
4-(5-amino-1-benzofuran-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888084
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163
(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954965
2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957540
(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119061394

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102954915) is (5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is COC1CN(C(=O)c2cc3cc(N)ccc3o2)CCC1C.
What is the InChIKey of (5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is DVYUPUVPJBRTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-5-6-18(9-15(10)20-2)16(19)14-8-11-7-12(17)3-4-13(11)21-14/h3-4,7-8,10,15H,5-6,9,17H2,1-2H3.
What are the key properties of (5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
(5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102954915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).