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

C19H26FN5O — CID 655318

IUPACN-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NC1CCCCC1
InChIInChI=1S/C19H26FN5O/c20-14-6-7-18-17(12-14)22-23-25(18)16-8-10-24(11-9-16)13-19(26)21-15-4-2-1-3-5-15/h6-7,12,15-16H,1-5,8-11,13H2,(H,21,26)
InChIKeyROEIHEKOEZHIBO-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.66
Rot. Bonds4

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

N-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 655318) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID655318
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC NameN-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NC1CCCCC1
InChIInChI=1S/C19H26FN5O/c20-14-6-7-18-17(12-14)22-23-25(18)16-8-10-24(11-9-16)13-19(26)21-15-4-2-1-3-5-15/h6-7,12,15-16H,1-5,8-11,13H2,(H,21,26)
InChIKeyROEIHEKOEZHIBO-UHFFFAOYSA-N
XLogP2.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 655318) is N-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is ROEIHEKOEZHIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c20-14-6-7-18-17(12-14)22-23-25(18)16-8-10-24(11-9-16)13-19(26)21-15-4-2-1-3-5-15/h6-7,12,15-16H,1-5,8-11,13H2,(H,21,26).
What are the key properties of N-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 655318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).