[5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

C21H27FN2O2 — CID 51124075

IUPAC[5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C21H27FN2O2/c1-15(2)23(3)14-16-10-12-24(13-11-16)21(25)20-9-8-19(26-20)17-6-4-5-7-18(17)22/h4-9,15-16H,10-14H2,1-3H3
InChIKeyTUFUQOHALFUMNK-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.28
Rot. Bonds5

About [5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

[5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 51124075) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is [5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
PubChem CID51124075
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name[5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C21H27FN2O2/c1-15(2)23(3)14-16-10-12-24(13-11-16)21(25)20-9-8-19(26-20)17-6-4-5-7-18(17)22/h4-9,15-16H,10-14H2,1-3H3
InChIKeyTUFUQOHALFUMNK-UHFFFAOYSA-N
XLogP4.28
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560350
[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone
CID 167817476
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 17438730
[5-(2-fluorophenyl)furan-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 167886745
(2-iodophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61245242
(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60959683
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39959005
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone
CID 18157493
[5-(2-fluorophenyl)furan-2-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 9467168
(4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60954454
1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51118376
5-(2-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 109388419

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (CID 51124075) is [5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is CC(C)N(C)CC1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1.
What is the InChIKey of [5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is TUFUQOHALFUMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-15(2)23(3)14-16-10-12-24(13-11-16)21(25)20-9-8-19(26-20)17-6-4-5-7-18(17)22/h4-9,15-16H,10-14H2,1-3H3.
What are the key properties of [5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
[5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 358.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 51124075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).