[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone

C16H18N2O2 — CID 70036380

IUPAC[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
SMILESNc1ccc(-c2ccc(C(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C16H18N2O2/c17-13-6-4-12(5-7-13)14-8-9-15(20-14)16(19)18-10-2-1-3-11-18/h4-9H,1-3,10-11,17H2
InChIKeyLPOOVZAERATHQM-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.15
Rot. Bonds2

About [5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone

[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone (PubChem CID 70036380) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
PubChem CID70036380
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
SMILESNc1ccc(-c2ccc(C(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C16H18N2O2/c17-13-6-4-12(5-7-13)14-8-9-15(20-14)16(19)18-10-2-1-3-11-18/h4-9H,1-3,10-11,17H2
InChIKeyLPOOVZAERATHQM-UHFFFAOYSA-N
XLogP3.15
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.15
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-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[5-(4-aminophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804498
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
CID 78804067
1-(azepan-1-yl)-2-[4-[5-(4-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]ethanone
CID 35610778
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
[5-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 95195380
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 24857857
[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 50849651
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone (CID 70036380) is [5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone is Nc1ccc(-c2ccc(C(=O)N3CCCCC3)o2)cc1.
What is the InChIKey of [5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone?
The InChIKey is LPOOVZAERATHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-13-6-4-12(5-7-13)14-8-9-15(20-14)16(19)18-10-2-1-3-11-18/h4-9H,1-3,10-11,17H2.
What are the key properties of [5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone?
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone has a molecular weight of 270.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 70036380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).