[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C24H27FN4O3 — CID 86264459

IUPAC[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C24H27FN4O3/c25-19-4-1-2-5-22(19)32-18-9-13-28(14-10-18)17-7-11-29(12-8-17)24(30)21-16-20(26-27-21)23-6-3-15-31-23/h1-6,15-18H,7-14H2,(H,26,27)
InChIKeyPWSAXHQPQYHNDP-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.96
Rot. Bonds5

About [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 86264459) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID86264459
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C24H27FN4O3/c25-19-4-1-2-5-22(19)32-18-9-13-28(14-10-18)17-7-11-29(12-8-17)24(30)21-16-20(26-27-21)23-6-3-15-31-23/h1-6,15-18H,7-14H2,(H,26,27)
InChIKeyPWSAXHQPQYHNDP-UHFFFAOYSA-N
XLogP3.96
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone with MolForge

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Related Compounds

5-(furan-2-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-pyrazole-3-carboxamide
CID 11504199
methyl 1-[[4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate
CID 30868477
N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide
CID 121318024
1-(4-Fluorophenyl)-2-[4-[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 24811650
[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 42529513
3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46944203
N-Cyclohexyl-5-[(2-fluorophenyl)methyl]-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272504
N-Cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272562
5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide
CID 19513871
2-furyl-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazino]methanone
CID 20864976
furan-2-yl(4-{[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}piperazin-1-yl)methanone
CID 20865042
1-(4-fluorophenyl)-4-{[3-(2-furyl)-1H-pyrazol-5-yl]carbonyl}piperazine
CID 20906461

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 86264459) is [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1.
What is the InChIKey of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is PWSAXHQPQYHNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c25-19-4-1-2-5-22(19)32-18-9-13-28(14-10-18)17-7-11-29(12-8-17)24(30)21-16-20(26-27-21)23-6-3-15-31-23/h1-6,15-18H,7-14H2,(H,26,27).
What are the key properties of [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 438.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 86264459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).