2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C21H24FN3O3 — CID 39959005

IUPAC2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1)N1CCCC1
InChIInChI=1S/C21H24FN3O3/c22-17-6-2-1-5-16(17)18-7-8-19(28-18)21(27)25-13-11-23(12-14-25)15-20(26)24-9-3-4-10-24/h1-2,5-8H,3-4,9-15H2
InChIKeyUODPSOOSFZESKA-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.47
Rot. Bonds4

About 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 39959005) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID39959005
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1)N1CCCC1
InChIInChI=1S/C21H24FN3O3/c22-17-6-2-1-5-16(17)18-7-8-19(28-18)21(27)25-13-11-23(12-14-25)15-20(26)24-9-3-4-10-24/h1-2,5-8H,3-4,9-15H2
InChIKeyUODPSOOSFZESKA-UHFFFAOYSA-N
XLogP2.47
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 17438730
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone
CID 18157493
1-(azepan-1-yl)-2-[4-[5-(4-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]ethanone
CID 35610778
[5-(2-fluorophenyl)furan-2-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 9467168
[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560350
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 18157487
2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156852
[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 50849651
2-[4-[5-(methoxymethyl)furan-2-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858877
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 39959005) is 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1)N1CCCC1.
What is the InChIKey of 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is UODPSOOSFZESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-17-6-2-1-5-16(17)18-7-8-19(28-18)21(27)25-13-11-23(12-14-25)15-20(26)24-9-3-4-10-24/h1-2,5-8H,3-4,9-15H2.
What are the key properties of 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 385.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 39959005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).