N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide

C19H23FN4O — CID 99784942

IUPACN-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide
SMILESC[C@@H]1CN(Cc2cccnc2)CCN1CC(=O)Nc1ccccc1F
InChIInChI=1S/C19H23FN4O/c1-15-12-23(13-16-5-4-8-21-11-16)9-10-24(15)14-19(25)22-18-7-3-2-6-17(18)20/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyQYMUTXXRNUCQFI-OAHLLOKOSA-N
MW342.42 g/mol
LogP2.37
Rot. Bonds5

About N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide

N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 99784942) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide
PubChem CID99784942
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide
SMILESC[C@@H]1CN(Cc2cccnc2)CCN1CC(=O)Nc1ccccc1F
InChIInChI=1S/C19H23FN4O/c1-15-12-23(13-16-5-4-8-21-11-16)9-10-24(15)14-19(25)22-18-7-3-2-6-17(18)20/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyQYMUTXXRNUCQFI-OAHLLOKOSA-N
XLogP2.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol
CID 95336645
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 115486329
(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 97325846
2-[2,4-dioxo-3-(pyridin-3-ylmethyl)-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 73340319
N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 20879243
[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-fluorophenyl)carbamate
CID 10316177
4-[[3-methyl-4-[2-oxo-2-(4-phenoxyanilino)ethyl]piperazin-1-yl]methyl]benzoic acid
CID 69399999
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide (CID 99784942) is N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide is C[C@@H]1CN(Cc2cccnc2)CCN1CC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is QYMUTXXRNUCQFI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-15-12-23(13-16-5-4-8-21-11-16)9-10-24(15)14-19(25)22-18-7-3-2-6-17(18)20/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 99784942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).