4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide

C13H16F3N3O2 — CID 23068043

IUPAC4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(NC2CCNCC2)cc1OC(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)21-11-7-9(1-2-10(11)12(17)20)19-8-3-5-18-6-4-8/h1-2,7-8,18-19H,3-6H2,(H2,17,20)
InChIKeyNLYZRMMHIHOXAE-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.85
Rot. Bonds4

About 4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide

4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide (PubChem CID 23068043) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide
PubChem CID23068043
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide
SMILESNC(=O)c1ccc(NC2CCNCC2)cc1OC(F)(F)F
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)21-11-7-9(1-2-10(11)12(17)20)19-8-3-5-18-6-4-8/h1-2,7-8,18-19H,3-6H2,(H2,17,20)
InChIKeyNLYZRMMHIHOXAE-UHFFFAOYSA-N
XLogP1.85
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide?
The IUPAC name of 4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide (CID 23068043) is 4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for 4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide?
The canonical SMILES for 4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide is NC(=O)c1ccc(NC2CCNCC2)cc1OC(F)(F)F.
What is the InChIKey of 4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide?
The InChIKey is NLYZRMMHIHOXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)21-11-7-9(1-2-10(11)12(17)20)19-8-3-5-18-6-4-8/h1-2,7-8,18-19H,3-6H2,(H2,17,20).
What are the key properties of 4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide?
4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide has a molecular weight of 303.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylamino)-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 23068043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).