N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide

C20H23FN5O+ — CID 7406583

IUPACN-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C20H22FN5O/c1-14-5-6-19-18(11-14)23-24-26(19)17-7-9-25(10-8-17)13-20(27)22-16-4-2-3-15(21)12-16/h2-6,11-12,17H,7-10,13H2,1H3,(H,22,27)/p+1
InChIKeyOHSCOJHYCSCIKA-UHFFFAOYSA-O
MW368.44 g/mol
LogP1.74
Rot. Bonds4

About N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide (PubChem CID 7406583) has the molecular formula C20H23FN5O+ and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
PubChem CID7406583
Molecular FormulaC20H23FN5O+
Molecular Weight368.44 g/mol
Exact Mass368.19
IUPAC NameN-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C20H22FN5O/c1-14-5-6-19-18(11-14)23-24-26(19)17-7-9-25(10-8-17)13-20(27)22-16-4-2-3-15(21)12-16/h2-6,11-12,17H,7-10,13H2,1H3,(H,22,27)/p+1
InChIKeyOHSCOJHYCSCIKA-UHFFFAOYSA-O
XLogP1.74
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 7406721
N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469774
N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7406517
N-(3,5-dimethoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7436503
N-tert-butyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7406728
N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]benzohydrazide
CID 7436483
2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]-N-(2-methylphenyl)acetamide
CID 7406450
2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide
CID 7304046
N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469631
N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654034
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9433624
2-[4-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711156

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide (CID 7406583) is N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide is Cc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide?
The InChIKey is OHSCOJHYCSCIKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22FN5O/c1-14-5-6-19-18(11-14)23-24-26(19)17-7-9-25(10-8-17)13-20(27)22-16-4-2-3-15(21)12-16/h2-6,11-12,17H,7-10,13H2,1H3,(H,22,27)/p+1.
What are the key properties of N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 7406583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).