1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C20H26FN3O — CID 56816044

IUPAC1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H26FN3O/c1-14-19(15(2)23(3)22-14)13-20(25)24-9-7-16(8-10-24)11-17-5-4-6-18(21)12-17/h4-6,12,16H,7-11,13H2,1-3H3
InChIKeyOJAWYQABMRESRQ-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.20
Rot. Bonds4

About 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 56816044) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID56816044
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H26FN3O/c1-14-19(15(2)23(3)22-14)13-20(25)24-9-7-16(8-10-24)11-17-5-4-6-18(21)12-17/h4-6,12,16H,7-11,13H2,1-3H3
InChIKeyOJAWYQABMRESRQ-UHFFFAOYSA-N
XLogP3.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone 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

1-(4-benzylpiperidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 110695390
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612727
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 56895511
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705889
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 119736886
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 119518527
1-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 100719657
(1-aminocyclopentyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 119296753

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 56816044) is 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1nn(C)c(C)c1CC(=O)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is OJAWYQABMRESRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-14-19(15(2)23(3)22-14)13-20(25)24-9-7-16(8-10-24)11-17-5-4-6-18(21)12-17/h4-6,12,16H,7-11,13H2,1-3H3.
What are the key properties of 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 343.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 56816044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).