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

C21H22FN5O — CID 74230839

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2F)CC1)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C21H22FN5O/c22-19-8-4-1-5-15(19)13-27-11-9-16(10-12-27)25-21(28)18-7-3-2-6-17(18)20-23-14-24-26-20/h1-8,14,16H,9-13H2,(H,25,28)(H,23,24,26)
InChIKeyZPEZITGNVVDIDQ-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.01
Rot. Bonds5

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

N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 74230839) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID74230839
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2F)CC1)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C21H22FN5O/c22-19-8-4-1-5-15(19)13-27-11-9-16(10-12-27)25-21(28)18-7-3-2-6-17(18)20-23-14-24-26-20/h1-8,14,16H,9-13H2,(H,25,28)(H,23,24,26)
InChIKeyZPEZITGNVVDIDQ-UHFFFAOYSA-N
XLogP3.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 51123737
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
CID 122569970
1-(2-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112843324
(2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide
CID 94797005
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083201
N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 10141143
N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 122561785
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 74230839) is N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide is O=C(NC1CCN(Cc2ccccc2F)CC1)c1ccccc1-c1ncn[nH]1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is ZPEZITGNVVDIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-19-8-4-1-5-15(19)13-27-11-9-16(10-12-27)25-21(28)18-7-3-2-6-17(18)20-23-14-24-26-20/h1-8,14,16H,9-13H2,(H,25,28)(H,23,24,26).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 379.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 74230839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).