[2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

C24H22FN3O2 — CID 23146405

IUPAC[2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1[nH]ncc1-c1ccc(F)cc1)N1CCCCC1Cc1cc2ccccc2o1
InChIInChI=1S/C24H22FN3O2/c25-18-10-8-16(9-11-18)21-15-26-27-23(21)24(29)28-12-4-3-6-19(28)14-20-13-17-5-1-2-7-22(17)30-20/h1-2,5,7-11,13,15,19H,3-4,6,12,14H2,(H,26,27)
InChIKeyYTHLOLIGLZDTDS-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.20
Rot. Bonds4

About [2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone

[2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 23146405) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is [2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID23146405
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name[2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1[nH]ncc1-c1ccc(F)cc1)N1CCCCC1Cc1cc2ccccc2o1
InChIInChI=1S/C24H22FN3O2/c25-18-10-8-16(9-11-18)21-15-26-27-23(21)24(29)28-12-4-3-6-19(28)14-20-13-17-5-1-2-7-22(17)30-20/h1-2,5,7-11,13,15,19H,3-4,6,12,14H2,(H,26,27)
InChIKeyYTHLOLIGLZDTDS-UHFFFAOYSA-N
XLogP5.20
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 10160068
[(2S)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 67158358
[2-[[(6,7-difluoro-3-methylquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 10299463
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 67090216
[(2S)-2-[(4-fluoro-1-benzofuran-2-yl)methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 66968232
6,7-difluoro-2-[[(2S)-1-[4-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-2-yl]methylamino]quinoline-3-carbonitrile
CID 67090091
3-[2-(1-benzofuran-2-ylmethyl)pyrrolidine-1-carbonyl]piperidine-1-sulfonamide
CID 154871958
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-1-yl]methanone
CID 23146308
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
1-[3-(1-benzofuran-2-yl)propanoyl]piperidine-2-carboxylic acid
CID 126771835
[2-[[4-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 10112531
4-(1-benzofuran-2-yl)-1-[(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-sulfanylidenepyrrolidin-3-yl]butan-1-one
CID 22852871

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 23146405) is [2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is O=C(c1[nH]ncc1-c1ccc(F)cc1)N1CCCCC1Cc1cc2ccccc2o1.
What is the InChIKey of [2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is YTHLOLIGLZDTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-18-10-8-16(9-11-18)21-15-26-27-23(21)24(29)28-12-4-3-6-19(28)14-20-13-17-5-1-2-7-22(17)30-20/h1-2,5,7-11,13,15,19H,3-4,6,12,14H2,(H,26,27).
What are the key properties of [2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
[2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 403.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-ylmethyl)piperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 23146405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).