N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide

C17H22FN5O — CID 96542307

IUPACN-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
SMILESCc1nc([C@@H]2CCCN(CCC(=O)Nc3ccccc3F)C2)n[nH]1
InChIInChI=1S/C17H22FN5O/c1-12-19-17(22-21-12)13-5-4-9-23(11-13)10-8-16(24)20-15-7-3-2-6-14(15)18/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,20,24)(H,19,21,22)/t13-/m1/s1
InChIKeyPYOVJKHYDXCOTR-CYBMUJFWSA-N
MW331.39 g/mol
LogP2.46
Rot. Bonds5

About N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide

N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide (PubChem CID 96542307) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
PubChem CID96542307
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC NameN-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
SMILESCc1nc([C@@H]2CCCN(CCC(=O)Nc3ccccc3F)C2)n[nH]1
InChIInChI=1S/C17H22FN5O/c1-12-19-17(22-21-12)13-5-4-9-23(11-13)10-8-16(24)20-15-7-3-2-6-14(15)18/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,20,24)(H,19,21,22)/t13-/m1/s1
InChIKeyPYOVJKHYDXCOTR-CYBMUJFWSA-N
XLogP2.46
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide 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

N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide
CID 124754915
N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide
CID 91836390
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124752097
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
N-(3-fluoro-2-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119920472
N-(2-fluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63264342
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide
CID 81452753
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide (CID 96542307) is N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide is Cc1nc([C@@H]2CCCN(CCC(=O)Nc3ccccc3F)C2)n[nH]1.
What is the InChIKey of N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is PYOVJKHYDXCOTR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-12-19-17(22-21-12)13-5-4-9-23(11-13)10-8-16(24)20-15-7-3-2-6-14(15)18/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,20,24)(H,19,21,22)/t13-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide?
N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 331.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 96542307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).