N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide

C17H20F3N5O — CID 3219947

IUPACN-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C17H20F3N5O/c1-2-7-21-16(26)11-24-8-5-13(6-9-24)25-15-4-3-12(17(18,19)20)10-14(15)22-23-25/h2-4,10,13H,1,5-9,11H2,(H,21,26)
InChIKeyZXPRWTBLBVUGIL-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.39
Rot. Bonds5

About N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide

N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 3219947) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
PubChem CID3219947
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC NameN-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C17H20F3N5O/c1-2-7-21-16(26)11-24-8-5-13(6-9-24)25-15-4-3-12(17(18,19)20)10-14(15)22-23-25/h2-4,10,13H,1,5-9,11H2,(H,21,26)
InChIKeyZXPRWTBLBVUGIL-UHFFFAOYSA-N
XLogP2.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide (CID 3219947) is N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is C=CCNC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
The InChIKey is ZXPRWTBLBVUGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-2-7-21-16(26)11-24-8-5-13(6-9-24)25-15-4-3-12(17(18,19)20)10-14(15)22-23-25/h2-4,10,13H,1,5-9,11H2,(H,21,26).
What are the key properties of N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide?
N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 367.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 3219947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).