[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone

C28H31FN2O3Si — CID 90213577

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone
SMILESC[Si](C)(O)Cc1cc(C#Cc2ccccc2F)oc1C(=O)N1CCC(c2cccc(CN)c2)CC1
InChIInChI=1S/C28H31FN2O3Si/c1-35(2,33)19-24-17-25(11-10-22-7-3-4-9-26(22)29)34-27(24)28(32)31-14-12-21(13-15-31)23-8-5-6-20(16-23)18-30/h3-9,16-17,21,33H,12-15,18-19,30H2,1-2H3
InChIKeyANIIPJVWUQINLW-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.58
Rot. Bonds5

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone (PubChem CID 90213577) has the molecular formula C28H31FN2O3Si and a molecular weight of 490.65 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone
PubChem CID90213577
Molecular FormulaC28H31FN2O3Si
Molecular Weight490.65 g/mol
Exact Mass490.21
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone
SMILESC[Si](C)(O)Cc1cc(C#Cc2ccccc2F)oc1C(=O)N1CCC(c2cccc(CN)c2)CC1
InChIInChI=1S/C28H31FN2O3Si/c1-35(2,33)19-24-17-25(11-10-22-7-3-4-9-26(22)29)34-27(24)28(32)31-14-12-21(13-15-31)23-8-5-6-20(16-23)18-30/h3-9,16-17,21,33H,12-15,18-19,30H2,1-2H3
InChIKeyANIIPJVWUQINLW-UHFFFAOYSA-N
XLogP4.58
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-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

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-[2-(2-fluorophenyl)ethynyl]phenyl]methanone;2,2,2-trifluoroacetic acid
CID 10143021
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-methylphenyl)ethynyl]furan-2-yl]methanone
CID 57398684
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(3-fluorophenyl)ethynyl]furan-2-yl]methanone
CID 57403766
[4-[3-(aminomethyl)phenyl]-1-[5-[2-(2-fluorophenyl)ethynyl]furan-2-carbonyl]piperidin-2-yl] methanesulfonate
CID 141125611
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-[2-(2-methylphenyl)ethynyl]phenyl]methanone
CID 22266034
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 23587319
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone
CID 57396792

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone (CID 90213577) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone is C[Si](C)(O)Cc1cc(C#Cc2ccccc2F)oc1C(=O)N1CCC(c2cccc(CN)c2)CC1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone?
The InChIKey is ANIIPJVWUQINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O3Si/c1-35(2,33)19-24-17-25(11-10-22-7-3-4-9-26(22)29)34-27(24)28(32)31-14-12-21(13-15-31)23-8-5-6-20(16-23)18-30/h3-9,16-17,21,33H,12-15,18-19,30H2,1-2H3.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone has a molecular weight of 490.65 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone is sourced from PubChem (CID 90213577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).