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

C22H25FN2O3 — CID 51238675

IUPAC[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H25FN2O3/c23-18-6-4-16(5-7-18)19-8-9-20(28-19)22(27)25-14-10-17(11-15-25)21(26)24-12-2-1-3-13-24/h4-9,17H,1-3,10-15H2
InChIKeyTZUMWBLHQIQQLI-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.95
Rot. Bonds3

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

[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 51238675) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is [1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID51238675
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H25FN2O3/c23-18-6-4-16(5-7-18)19-8-9-20(28-19)22(27)25-14-10-17(11-15-25)21(26)24-12-2-1-3-13-24/h4-9,17H,1-3,10-15H2
InChIKeyTZUMWBLHQIQQLI-UHFFFAOYSA-N
XLogP3.95
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 166208842
[5-(4-fluorophenyl)furan-2-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429882
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
[4-[5-(4-fluorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 17437340
[5-(4-fluorophenyl)furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537508
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428

Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 51238675) is [1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone is O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is TZUMWBLHQIQQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c23-18-6-4-16(5-7-18)19-8-9-20(28-19)22(27)25-14-10-17(11-15-25)21(26)24-12-2-1-3-13-24/h4-9,17H,1-3,10-15H2.
What are the key properties of [1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 384.45 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 51238675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).