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

C16H20FN5O — CID 652281

IUPACN-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NC1CC1
InChIInChI=1S/C16H20FN5O/c17-11-1-4-15-14(9-11)19-20-22(15)13-5-7-21(8-6-13)10-16(23)18-12-2-3-12/h1,4,9,12-13H,2-3,5-8,10H2,(H,18,23)
InChIKeyNNUSYJIKNKDJCU-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.49
Rot. Bonds4

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

N-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 652281) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID652281
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC NameN-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NC1CC1
InChIInChI=1S/C16H20FN5O/c17-11-1-4-15-14(9-11)19-20-22(15)13-5-7-21(8-6-13)10-16(23)18-12-2-3-12/h1,4,9,12-13H,2-3,5-8,10H2,(H,18,23)
InChIKeyNNUSYJIKNKDJCU-UHFFFAOYSA-N
XLogP1.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 652281) is N-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is NNUSYJIKNKDJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-11-1-4-15-14(9-11)19-20-22(15)13-5-7-21(8-6-13)10-16(23)18-12-2-3-12/h1,4,9,12-13H,2-3,5-8,10H2,(H,18,23).
What are the key properties of N-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 317.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 652281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).