[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone

C18H18FN3O2 — CID 167817476

IUPAC[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone
SMILESCC1(C2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)N=N1
InChIInChI=1S/C18H18FN3O2/c1-18(20-21-18)12-8-10-22(11-9-12)17(23)16-7-6-15(24-16)13-4-2-3-5-14(13)19/h2-7,12H,8-11H2,1H3
InChIKeyBYAKEKUFPSFYOE-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.12
Rot. Bonds3

About [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone

[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone (PubChem CID 167817476) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone
PubChem CID167817476
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone
SMILESCC1(C2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)N=N1
InChIInChI=1S/C18H18FN3O2/c1-18(20-21-18)12-8-10-22(11-9-12)17(23)16-7-6-15(24-16)13-4-2-3-5-14(13)19/h2-7,12H,8-11H2,1H3
InChIKeyBYAKEKUFPSFYOE-UHFFFAOYSA-N
XLogP4.12
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)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-[[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
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
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39959005
[5-(2-fluorophenyl)furan-2-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569557
(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
3-amino-N-[[1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579452
ethyl 4-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 18230812
[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone (CID 167817476) is [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone is CC1(C2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)N=N1.
What is the InChIKey of [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone?
The InChIKey is BYAKEKUFPSFYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-18(20-21-18)12-8-10-22(11-9-12)17(23)16-7-6-15(24-16)13-4-2-3-5-14(13)19/h2-7,12H,8-11H2,1H3.
What are the key properties of [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone?
[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone has a molecular weight of 327.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 167817476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).