[5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone

C17H20N2O2 — CID 91679685

IUPAC[5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3cccc(N)c3)o2)C1
InChIInChI=1S/C17H20N2O2/c1-12-4-3-9-19(11-12)17(20)16-8-7-15(21-16)13-5-2-6-14(18)10-13/h2,5-8,10,12H,3-4,9,11,18H2,1H3
InChIKeyLZRRBRZZPRVPJO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.40
Rot. Bonds2

About [5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone

[5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 91679685) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID91679685
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3cccc(N)c3)o2)C1
InChIInChI=1S/C17H20N2O2/c1-12-4-3-9-19(11-12)17(20)16-8-7-15(21-16)13-5-2-6-14(18)10-13/h2,5-8,10,12H,3-4,9,11,18H2,1H3
InChIKeyLZRRBRZZPRVPJO-UHFFFAOYSA-N
XLogP3.40
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 91679692
[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 18105311
1-[5-(3-aminophenyl)furan-2-yl]ethanone
CID 165461195
[5-(3-amino-4-methylphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91679636
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
[3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(3-methylphenyl)furan-2-yl]methanone
CID 45192228
[5-(3-amino-2-methylphenyl)furan-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804530
[5-(4-aminophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804498
3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one
CID 166205934
1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
CID 78804067
[5-(4-amino-2-bromophenyl)furan-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804512
[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804507

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 91679685) is [5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(-c3cccc(N)c3)o2)C1.
What is the InChIKey of [5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is LZRRBRZZPRVPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-4-3-9-19(11-12)17(20)16-8-7-15(21-16)13-5-2-6-14(18)10-13/h2,5-8,10,12H,3-4,9,11,18H2,1H3.
What are the key properties of [5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone?
[5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91679685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).