[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone

C23H22N4O2 — CID 57396792

IUPAC[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone
SMILESNCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4cnccn4)o3)CC2)c1
InChIInChI=1S/C23H22N4O2/c24-15-17-2-1-3-19(14-17)18-8-12-27(13-9-18)23(28)22-7-6-21(29-22)5-4-20-16-25-10-11-26-20/h1-3,6-7,10-11,14,16,18H,8-9,12-13,15,24H2
InChIKeyUNXKGOCGLVJITG-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.95
Rot. Bonds3

About [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone (PubChem CID 57396792) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone
PubChem CID57396792
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone
SMILESNCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4cnccn4)o3)CC2)c1
InChIInChI=1S/C23H22N4O2/c24-15-17-2-1-3-19(14-17)18-8-12-27(13-9-18)23(28)22-7-6-21(29-22)5-4-20-16-25-10-11-26-20/h1-3,6-7,10-11,14,16,18H,8-9,12-13,15,24H2
InChIKeyUNXKGOCGLVJITG-UHFFFAOYSA-N
XLogP2.95
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)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]-[5-[2-(3-fluorophenyl)ethynyl]furan-2-yl]methanone
CID 57403766
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[2-(2-methylphenyl)ethynyl]furan-2-yl]methanone
CID 57398684
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 22266022
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[3-[2-(6-amino-3-pyridinyl)ethynyl]phenyl]methanone;hydrochloride
CID 22266117
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 23587399
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 23587391
[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]-[5-[2-(2-fluorophenyl)ethynyl]-3-[[hydroxy(dimethyl)silyl]methyl]furan-2-yl]methanone
CID 90213577

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone?
The IUPAC name of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone (CID 57396792) is [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone.
What is the SMILES notation for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone?
The canonical SMILES for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone is NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4cnccn4)o3)CC2)c1.
What is the InChIKey of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone?
The InChIKey is UNXKGOCGLVJITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c24-15-17-2-1-3-19(14-17)18-8-12-27(13-9-18)23(28)22-7-6-21(29-22)5-4-20-16-25-10-11-26-20/h1-3,6-7,10-11,14,16,18H,8-9,12-13,15,24H2.
What are the key properties of [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone?
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-(2-pyrazin-2-ylethynyl)furan-2-yl]methanone is sourced from PubChem (CID 57396792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).