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

C20H22FN5O — CID 1469774

IUPACN-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(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)
InChIKeyOHSCOJHYCSCIKA-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.15
Rot. Bonds4

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

N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 1469774) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID1469774
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(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)
InChIKeyOHSCOJHYCSCIKA-UHFFFAOYSA-N
XLogP3.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469631
N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7406583
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 43814474
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 645287
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613
N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 3229037
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide
CID 1469769
4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide
CID 3229067
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1469552
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 645302
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1469614
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 5003797

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 1469774) is N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is OHSCOJHYCSCIKA-UHFFFAOYSA-N. 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).
What are the key properties of N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1469774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).