N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide

C22H24FN5O — CID 652543

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C22H24FN5O/c23-17-5-7-21-20(13-17)25-26-28(21)19-8-10-27(11-9-19)14-22(29)24-18-6-4-15-2-1-3-16(15)12-18/h4-7,12-13,19H,1-3,8-11,14H2,(H,24,29)
InChIKeyOYBNZMLVTNWHAG-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.33
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 652543) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID652543
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C22H24FN5O/c23-17-5-7-21-20(13-17)25-26-28(21)19-8-10-27(11-9-19)14-22(29)24-18-6-4-15-2-1-3-16(15)12-18/h4-7,12-13,19H,1-3,8-11,14H2,(H,24,29)
InChIKeyOYBNZMLVTNWHAG-UHFFFAOYSA-N
XLogP3.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 652543) is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is OYBNZMLVTNWHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c23-17-5-7-21-20(13-17)25-26-28(21)19-8-10-27(11-9-19)14-22(29)24-18-6-4-15-2-1-3-16(15)12-18/h4-7,12-13,19H,1-3,8-11,14H2,(H,24,29).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 393.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 652543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).