[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone

C17H19FN2O2 — CID 119560350

IUPAC[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C17H19FN2O2/c1-19-12-8-10-20(11-9-12)17(21)16-7-6-15(22-16)13-4-2-3-5-14(13)18/h2-7,12,19H,8-11H2,1H3
InChIKeyACKXSAYYNWDSKS-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.91
Rot. Bonds3

About [5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone

[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119560350) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is [5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119560350
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C17H19FN2O2/c1-19-12-8-10-20(11-9-12)17(21)16-7-6-15(22-16)13-4-2-3-5-14(13)18/h2-7,12,19H,8-11H2,1H3
InChIKeyACKXSAYYNWDSKS-UHFFFAOYSA-N
XLogP2.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone
CID 167817476
[5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 51124075
[5-(2-fluorophenyl)furan-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 167886745
ethyl 4-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 18230812
1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51118376
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 17438730
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39959005
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone
CID 18157493
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562475
[5-(2-fluorophenyl)furan-2-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 9467168

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone (CID 119560350) is [5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1.
What is the InChIKey of [5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is ACKXSAYYNWDSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-19-12-8-10-20(11-9-12)17(21)16-7-6-15(22-16)13-4-2-3-5-14(13)18/h2-7,12,19H,8-11H2,1H3.
What are the key properties of [5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone?
[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119560350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).