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

C19H19F2N5O — CID 43814474

IUPAC2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccccc1F
InChIInChI=1S/C19H19F2N5O/c20-13-5-6-18-17(11-13)23-24-26(18)14-7-9-25(10-8-14)12-19(27)22-16-4-2-1-3-15(16)21/h1-6,11,14H,7-10,12H2,(H,22,27)
InChIKeyVOICEJFIZBXJKV-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.99
Rot. Bonds4

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

2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 43814474) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID43814474
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccccc1F
InChIInChI=1S/C19H19F2N5O/c20-13-5-6-18-17(11-13)23-24-26(18)14-7-9-25(10-8-14)12-19(27)22-16-4-2-1-3-15(16)21/h1-6,11,14H,7-10,12H2,(H,22,27)
InChIKeyVOICEJFIZBXJKV-UHFFFAOYSA-N
XLogP2.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469774
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 1469617
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 3229037
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1469552
N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469631
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
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 645287
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide
CID 1469769
2-[4-[5-fluoro-2-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 1462304

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 43814474) is 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccccc1F.
What is the InChIKey of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is VOICEJFIZBXJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c20-13-5-6-18-17(11-13)23-24-26(18)14-7-9-25(10-8-14)12-19(27)22-16-4-2-1-3-15(16)21/h1-6,11,14H,7-10,12H2,(H,22,27).
What are the key properties of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 43814474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).