4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide

C14H17F3N2O — CID 175939271

IUPAC4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(CC2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-8-10(1-2-11(12)13(18)20)7-9-3-5-19-6-4-9/h1-2,8-9,19H,3-7H2,(H2,18,20)
InChIKeyOQQVHXVPYLGIHN-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.35
Rot. Bonds3

About 4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide

4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide (PubChem CID 175939271) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide
PubChem CID175939271
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(CC2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-8-10(1-2-11(12)13(18)20)7-9-3-5-19-6-4-9/h1-2,8-9,19H,3-7H2,(H2,18,20)
InChIKeyOQQVHXVPYLGIHN-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide (CID 175939271) is 4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(CC2CCNCC2)cc1C(F)(F)F.
What is the InChIKey of 4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide?
The InChIKey is OQQVHXVPYLGIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)12-8-10(1-2-11(12)13(18)20)7-9-3-5-19-6-4-9/h1-2,8-9,19H,3-7H2,(H2,18,20).
What are the key properties of 4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide?
4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 175939271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).