2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide

C18H24FN5O — CID 166320781

IUPAC2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide
SMILESCc1cccc(F)c1C(=O)NCC1CCN(CCn2cncn2)CC1
InChIInChI=1S/C18H24FN5O/c1-14-3-2-4-16(19)17(14)18(25)21-11-15-5-7-23(8-6-15)9-10-24-13-20-12-22-24/h2-4,12-13,15H,5-11H2,1H3,(H,21,25)
InChIKeyXNPJCXZVOYRQDC-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.87
Rot. Bonds6

About 2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide

2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide (PubChem CID 166320781) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide
PubChem CID166320781
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide
SMILESCc1cccc(F)c1C(=O)NCC1CCN(CCn2cncn2)CC1
InChIInChI=1S/C18H24FN5O/c1-14-3-2-4-16(19)17(14)18(25)21-11-15-5-7-23(8-6-15)9-10-24-13-20-12-22-24/h2-4,12-13,15H,5-11H2,1H3,(H,21,25)
InChIKeyXNPJCXZVOYRQDC-UHFFFAOYSA-N
XLogP1.87
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide
CID 119044683
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
CID 16895608
N-[[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide
CID 131907713
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 91779093
[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine
CID 119909413
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563
3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661754

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide (CID 166320781) is 2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide is Cc1cccc(F)c1C(=O)NCC1CCN(CCn2cncn2)CC1.
What is the InChIKey of 2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is XNPJCXZVOYRQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-14-3-2-4-16(19)17(14)18(25)21-11-15-5-7-23(8-6-15)9-10-24-13-20-12-22-24/h2-4,12-13,15H,5-11H2,1H3,(H,21,25).
What are the key properties of 2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide?
2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 345.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 166320781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).