2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C20H22FN5O — CID 1469563

IUPAC2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC(n2nnc3ccccc32)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C20H22FN5O/c21-16-7-5-15(6-8-16)13-22-20(27)14-25-11-9-17(10-12-25)26-19-4-2-1-3-18(19)23-24-26/h1-8,17H,9-14H2,(H,22,27)
InChIKeyMGCQUVRQWVFYRZ-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.52
Rot. Bonds5

About 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 1469563) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID1469563
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC(n2nnc3ccccc32)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C20H22FN5O/c21-16-7-5-15(6-8-16)13-22-20(27)14-25-11-9-17(10-12-25)26-19-4-2-1-3-18(19)23-24-26/h1-8,17H,9-14H2,(H,22,27)
InChIKeyMGCQUVRQWVFYRZ-UHFFFAOYSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 1469563) is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1CCC(n2nnc3ccccc32)CC1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is MGCQUVRQWVFYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-16-7-5-15(6-8-16)13-22-20(27)14-25-11-9-17(10-12-25)26-19-4-2-1-3-18(19)23-24-26/h1-8,17H,9-14H2,(H,22,27).
What are the key properties of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 1469563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).