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

C20H28FN5O — CID 655303

IUPAC2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)CC1
InChIInChI=1S/C20H28FN5O/c1-14-2-5-16(6-3-14)22-20(27)13-25-10-8-17(9-11-25)26-19-7-4-15(21)12-18(19)23-24-26/h4,7,12,14,16-17H,2-3,5-6,8-11,13H2,1H3,(H,22,27)
InChIKeyKTQPENXTIUZJAV-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.90
Rot. Bonds4

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

2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 655303) has the molecular formula C20H28FN5O and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID655303
Molecular FormulaC20H28FN5O
Molecular Weight373.48 g/mol
Exact Mass373.23
IUPAC Name2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)CC1
InChIInChI=1S/C20H28FN5O/c1-14-2-5-16(6-3-14)22-20(27)13-25-10-8-17(9-11-25)26-19-7-4-15(21)12-18(19)23-24-26/h4,7,12,14,16-17H,2-3,5-6,8-11,13H2,1H3,(H,22,27)
InChIKeyKTQPENXTIUZJAV-UHFFFAOYSA-N
XLogP2.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 655303) is 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)CC1.
What is the InChIKey of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is KTQPENXTIUZJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O/c1-14-2-5-16(6-3-14)22-20(27)13-25-10-8-17(9-11-25)26-19-7-4-15(21)12-18(19)23-24-26/h4,7,12,14,16-17H,2-3,5-6,8-11,13H2,1H3,(H,22,27).
What are the key properties of 2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.90, 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-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 655303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).