2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C16H18F3N5O — CID 42609562

IUPAC2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(n2ccnn2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3N5O/c17-16(18,19)12-2-1-3-13(10-12)21-15(25)11-23-7-4-14(5-8-23)24-9-6-20-22-24/h1-3,6,9-10,14H,4-5,7-8,11H2,(H,21,25)
InChIKeySPJOYJZLUWVLAE-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.57
Rot. Bonds4

About 2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 42609562) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID42609562
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(n2ccnn2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3N5O/c17-16(18,19)12-2-1-3-13(10-12)21-15(25)11-23-7-4-14(5-8-23)24-9-6-20-22-24/h1-3,6,9-10,14H,4-5,7-8,11H2,(H,21,25)
InChIKeySPJOYJZLUWVLAE-UHFFFAOYSA-N
XLogP2.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90493981
2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344890
2-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344929
N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469631
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 154844041
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxylic acid
CID 19482774
1-[2-(naphthalen-1-ylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16910314

Frequently Asked Questions

What is the IUPAC name of 2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 42609562) is 2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(n2ccnn2)CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SPJOYJZLUWVLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c17-16(18,19)12-2-1-3-13(10-12)21-15(25)11-23-7-4-14(5-8-23)24-9-6-20-22-24/h1-3,6,9-10,14H,4-5,7-8,11H2,(H,21,25).
What are the key properties of 2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 353.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 42609562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).