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

C17H22FN5O — CID 129380474

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C17H22FN5O/c1-22(10-13-6-2-3-7-14(13)18)16(24)11-23-9-5-4-8-15(23)17-19-12-20-21-17/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyGAEFLBKPVYKNPP-OAHLLOKOSA-N
MW331.39 g/mol
LogP2.13
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 129380474) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
PubChem CID129380474
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C17H22FN5O/c1-22(10-13-6-2-3-7-14(13)18)16(24)11-23-9-5-4-8-15(23)17-19-12-20-21-17/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,19,20,21)/t15-/m1/s1
InChIKeyGAEFLBKPVYKNPP-OAHLLOKOSA-N
XLogP2.13
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55827853
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CID 26570181
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N-[(2-fluorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756417
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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (CID 129380474) is N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is CN(Cc1ccccc1F)C(=O)CN1CCCC[C@@H]1c1ncn[nH]1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is GAEFLBKPVYKNPP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-22(10-13-6-2-3-7-14(13)18)16(24)11-23-9-5-4-8-15(23)17-19-12-20-21-17/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 331.39 g/mol, XLogP of 2.13, 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-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 129380474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).