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

C18H24FN5O — CID 129492114

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCc1nc([C@@H]2CCCCN2CC(=O)N(C)Cc2ccccc2F)n[nH]1
InChIInChI=1S/C18H24FN5O/c1-13-20-18(22-21-13)16-9-5-6-10-24(16)12-17(25)23(2)11-14-7-3-4-8-15(14)19/h3-4,7-8,16H,5-6,9-12H2,1-2H3,(H,20,21,22)/t16-/m0/s1
InChIKeyPJSGZAVJJVHRLA-INIZCTEOSA-N
MW345.42 g/mol
LogP2.44
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 129492114) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
PubChem CID129492114
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCc1nc([C@@H]2CCCCN2CC(=O)N(C)Cc2ccccc2F)n[nH]1
InChIInChI=1S/C18H24FN5O/c1-13-20-18(22-21-13)16-9-5-6-10-24(16)12-17(25)23(2)11-14-7-3-4-8-15(14)19/h3-4,7-8,16H,5-6,9-12H2,1-2H3,(H,20,21,22)/t16-/m0/s1
InChIKeyPJSGZAVJJVHRLA-INIZCTEOSA-N
XLogP2.44
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-Ethylphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 590730
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-{2-[(5-methyl-4H-1,2,4-triazol-3-yl)formamido]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54737253
N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
1-(2-Methylpiperidin-1-YL)-2-[(5-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl]ethan-1-one
CID 16030112
N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]acetamide
CID 44564835
3,3,3-trifluoro-N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]propanamide
CID 44564884
N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]-2-methyl-propanamide
CID 44564887
(2S,4R)-4-fluoro-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165139877
1-(2-Ethylpiperidin-1-YL)-2-[(5-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl]ethan-1-one
CID 16030114
2-{[5-(4-Fluorophenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-1-(4-methylpiperidin-1-YL)ethan-1-one
CID 16030256
N-[(3S,4S)-1-(2,4-difluorobenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]tetrahydro-2H-pyran-4-carboxamide
CID 91910031
2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 14978582

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (CID 129492114) is N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is Cc1nc([C@@H]2CCCCN2CC(=O)N(C)Cc2ccccc2F)n[nH]1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is PJSGZAVJJVHRLA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-13-20-18(22-21-13)16-9-5-6-10-24(16)12-17(25)23(2)11-14-7-3-4-8-15(14)19/h3-4,7-8,16H,5-6,9-12H2,1-2H3,(H,20,21,22)/t16-/m0/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 129492114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).